5FCR

MOUSE COMPLEMENT FACTOR D


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP293Mouse FD was crystallized by the sitting drop vapour diffusion method. A 1 uL FD solution (14.4 mg/mL FD, 50 mM Tris pH 8.0, 100 mM NaCl) was mixed with 1 uL reservoir solution (0.1 M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 pH 7.0) and equilibrated against 200 uL reservoir solution.
Crystal Properties
Matthews coefficientSolvent content
2.2244.56

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 51.271α = 90.46
b = 52.866β = 98.04
c = 84.278γ = 90.14
Symmetry
Space GroupP 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELPSI PILATUS 6M2010-08-16MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSLS BEAMLINE X10SA0.9999SLSX10SA

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
11.2588.3588.30.0413.91.8215515
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)
11.251.2875.10.721.7

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-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT5FCK1.2583.452047351077688.270.152090.149790.19599RANDOM17.735
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]
-0.03-0.31-0.14-0.080.17
RMS Deviations
KeyRefinement Restraint Deviation
r_sphericity_free33.992
r_dihedral_angle_2_deg33.494
r_sphericity_bonded21.176
r_dihedral_angle_4_deg19.145
r_dihedral_angle_3_deg12.587
r_long_range_B_refined7.877
r_long_range_B_other7.877
r_scangle_other7.62
r_scbond_it7
r_scbond_other6.996
RMS Deviations
KeyRefinement Restraint Deviation
r_sphericity_free33.992
r_dihedral_angle_2_deg33.494
r_sphericity_bonded21.176
r_dihedral_angle_4_deg19.145
r_dihedral_angle_3_deg12.587
r_long_range_B_refined7.877
r_long_range_B_other7.877
r_scangle_other7.62
r_scbond_it7
r_scbond_other6.996
r_rigid_bond_restr6.679
r_dihedral_angle_1_deg6.37
r_mcangle_it5.448
r_mcangle_other5.448
r_mcbond_it4.43
r_mcbond_other4.427
r_angle_refined_deg2.7
r_angle_other_deg2.304
r_chiral_restr0.185
r_bond_refined_d0.032
r_bond_other_d0.018
r_gen_planes_refined0.017
r_gen_planes_other0.011
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms6947
Nucleic Acid Atoms
Solvent Atoms840
Heterogen Atoms49

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
MOLREPphasing