2WBT

The Structure of a Double C2H2 Zinc Finger Protein from a Hyperthermophilic Archaeal Virus in the Absence of DNA


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP5.3SITTING DROP VAPOR DIFFUSION, 20 MG/ML OF B129 IN 20 MM BIS-TRIS, PH 6.5, 60 MM NACL MIXED WITH 0.1 M AMMONIUM CITRATE DIBASIC, 10-14 % PEG 4000
Crystal Properties
Matthews coefficientSolvent content
2.70.55

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 51.378α = 90
b = 120.464β = 90
c = 51.687γ = 90
Symmetry
Space GroupP 21 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray110CCDMARRESEARCHFLAT COLLIMATING MIRROR, DOUBLE CRYSTAL MONOCHROMATOR, TOROID FOCUSING MIRROR2006-03-18MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSSRL BEAMLINE BL9-21.2833, 1.2830, 1.1696SSRLBL9-2

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
12.75078.70.0717.22.982095
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)
12.72.7778.80.244.42.8

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 DIFFRACTIONMADTHROUGHOUTNONE2.720695436078.90.2330.2310.269RANDOM23.08
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]
-0.010.15-0.14
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.645
r_dihedral_angle_4_deg21.386
r_dihedral_angle_3_deg14.512
r_dihedral_angle_1_deg5.289
r_angle_refined_deg1.124
r_angle_other_deg1.005
r_scangle_it0.541
r_symmetry_vdw_refined0.426
r_mcangle_it0.364
r_mcbond_it0.346
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg30.645
r_dihedral_angle_4_deg21.386
r_dihedral_angle_3_deg14.512
r_dihedral_angle_1_deg5.289
r_angle_refined_deg1.124
r_angle_other_deg1.005
r_scangle_it0.541
r_symmetry_vdw_refined0.426
r_mcangle_it0.364
r_mcbond_it0.346
r_scbond_it0.317
r_symmetry_vdw_other0.237
r_nbd_other0.184
r_nbtor_refined0.169
r_nbd_refined0.166
r_symmetry_hbond_refined0.151
r_xyhbond_nbd_refined0.121
r_nbtor_other0.083
r_chiral_restr0.054
r_bond_refined_d0.034
r_mcbond_other0.031
r_metal_ion_refined0.02
r_bond_other_d0.009
r_gen_planes_refined0.002
r_gen_planes_other0.001
r_xyhbond_nbd_other
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1905
Nucleic Acid Atoms
Solvent Atoms17
Heterogen Atoms4

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
DENZOdata reduction
HKL-2000data scaling
SCALEPACKdata scaling
SOLVEphasing