1E6I | pdb_00001e6i

Bromodomain from GCN5 complexed with acetylated H4 peptide


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.52.2M AMMONIUM SULPHATE, 20% V/V GLYCEROL, 4MM DITHIOTHREITOL, 100 MM HEPES PH 7.5, 125MM NACL 5:1 PEPTIDE:PROTEIN
Crystal Properties
Matthews coefficientSolvent content
2.1647

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 43.68α = 90
b = 71.92β = 90
c = 89.2γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMARRESEARCHOSMIC MIRRORS2000-07-10MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
11.8719.199.80.0730.07324.57.48891327
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.871.9899.50.2040.2048.77

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONSIRASTHROUGHOUT1.87191194457299.80.1870.1920.2090.2046RANDOM21
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]
-10.40.6
RMS Deviations
KeyRefinement Restraint Deviation
p_scangle_it5.3
p_angle_d3.9
p_mcangle_it3.6
p_scbond_it3.4
p_mcbond_it2.3
p_singtor_nbd0.31
p_chiral_restr0.094
p_bond_d0.016
p_plane_restr0.006
p_angle_deg
RMS Deviations
KeyRefinement Restraint Deviation
p_scangle_it5.3
p_angle_d3.9
p_mcangle_it3.6
p_scbond_it3.4
p_mcbond_it2.3
p_singtor_nbd0.31
p_chiral_restr0.094
p_bond_d0.016
p_plane_restr0.006
p_angle_deg
p_planar_d
p_hb_or_metal_coord
p_multtor_nbd
p_xhyhbond_nbd
p_xyhbond_nbd
p_planar_tor
p_staggered_tor
p_orthonormal_tor
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms981
Nucleic Acid Atoms
Solvent Atoms109
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
SHARPphasing