2ILR

Crystal structure of human Fanconi Anemia protein E C-terminal domain


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP82910.085M TrisCl, 0.170M Sodium Acetate, 25.5% PEG 4000, 15% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Crystal Properties
Matthews coefficientSolvent content
2.1342.8

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 59.291α = 90
b = 59.291β = 90
c = 140.249γ = 90
Symmetry
Space GroupP 41 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 2102006-05-17MMAD
21x-ray100CCDADSC QUANTUM 2102006-05-17MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID290.9794, 0.9798, 0.9764ESRFID29
2SYNCHROTRONESRF BEAMLINE ID290.9794ESRFID29

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
1,2218.7598.90.058.18.6176651766527.8
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)
22.1198.70.1958.92470

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-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMADTHROUGHOUT218.751651288898.50.196480.194090.24356RANDOM32.895
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]
-0.05-0.050.1
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.763
r_dihedral_angle_4_deg13.612
r_dihedral_angle_3_deg11.563
r_scangle_it4.958
r_dihedral_angle_1_deg3.448
r_scbond_it3.289
r_mcangle_it2.111
r_angle_refined_deg1.776
r_mcbond_it1.355
r_nbtor_refined0.301
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.763
r_dihedral_angle_4_deg13.612
r_dihedral_angle_3_deg11.563
r_scangle_it4.958
r_dihedral_angle_1_deg3.448
r_scbond_it3.289
r_mcangle_it2.111
r_angle_refined_deg1.776
r_mcbond_it1.355
r_nbtor_refined0.301
r_nbd_refined0.221
r_xyhbond_nbd_refined0.203
r_symmetry_vdw_refined0.196
r_symmetry_hbond_refined0.149
r_chiral_restr0.113
r_bond_refined_d0.018
r_gen_planes_refined0.007
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1922
Nucleic Acid Atoms
Solvent Atoms144
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
ADSCdata collection
MOSFLMdata reduction
CCP4data scaling
SHARPphasing