2AQ5 | pdb_00002aq5

Crystal Structure of Murine Coronin-1


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1829230% PEG-MME 2000, 150 mM potassium chloride, 5 mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 292K, pH 8.0
Crystal Properties
Matthews coefficientSolvent content
2.1943.49

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 52.996α = 90
b = 80.443β = 90
c = 88.208γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 42004-10-17MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONALS BEAMLINE 5.0.20.9795, 0.9797, 0.9570ALS5.0.2

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym 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
11.755099.50.08133.912.138545
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.751.8199.40.24511.811.4

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONMADTHROUGHOUT1.755036618192799.90.160.1580.15830.1920.1902RANDOM8.32
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]
-0.120.11
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.176
r_dihedral_angle_4_deg14.48
r_dihedral_angle_3_deg12.516
r_dihedral_angle_1_deg6.233
r_scangle_it3.684
r_scbond_it2.348
r_angle_refined_deg1.425
r_mcangle_it1.406
r_mcbond_it0.856
r_nbtor_refined0.308
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3061
Nucleic Acid Atoms
Solvent Atoms463
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
SHARPphasing