2WB1 | pdb_00002wb1

The complete structure of the archaeal 13-subunit DNA-directed RNA Polymerase


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1EN0PDB ENTRY 1EN0

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.57MG/ML ENZYME, 150 MM KCL, 100MM SRCL2, 100MM CACODYLATE PH 6.5, 12% PEG MME 5K
Crystal Properties
Matthews coefficientSolvent content
3.363.3

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 196.095α = 90
b = 211.871β = 90
c = 238.905γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X25NSLSX25

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
13.5230.2930.1610.16.2114084-3
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
13.523.6262.10.4823.2

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 1EN03.5230.2108172572192.40.3350.3330.330.3840.38RANDOM84.68
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
5.9-9.763.86
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.445
r_dihedral_angle_3_deg20.707
r_dihedral_angle_4_deg17.073
r_dihedral_angle_1_deg6.231
r_angle_refined_deg1.28
r_nbtor_refined0.306
r_nbd_refined0.23
r_symmetry_hbond_refined0.2
r_symmetry_vdw_refined0.186
r_xyhbond_nbd_refined0.167
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms52713
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms26

Software

Software
Software NamePurpose
REFMACrefinement
SCALEPACKdata scaling
GLRFphasing
MOLREPphasing
SOLVEphasing