2C9R | pdb_00002c9r

apo-H91F CopC


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 2C9QPDB ENTRY 2C9Q

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
16.62.4 M SODIUM ACETATE, PH 7.0, 0.1 M BIS-TRIS PROPANE, PH 6.6, EDTA, 10 MM.
Crystal Properties
Matthews coefficientSolvent content
2.6653.37

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 72.315α = 90
b = 72.315β = 90
c = 47.542γ = 90
Symmetry
Space GroupI 41

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray293IMAGE PLATEMARRESEARCHOSMIC MIRRORSMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RU200

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
123097.70.0423.82.48189
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)
122.0795.60.243.72.1

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 Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 2C9Q226.7478063781000.1770.1750.180.213RANDOM42
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]
-0.66-0.661.32
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg25.857
r_dihedral_angle_4_deg23.85
r_dihedral_angle_3_deg14.512
r_dihedral_angle_1_deg5.177
r_scangle_it3.401
r_scbond_it2.033
r_angle_refined_deg1.384
r_mcangle_it1.189
r_angle_other_deg0.728
r_mcbond_it0.658
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms702
Nucleic Acid Atoms
Solvent Atoms63
Heterogen Atoms1

Software

Software
Software NamePurpose
REFMACrefinement
DENZOdata reduction
SCALEPACKdata scaling
MOLREPphasing