8B5A
Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-11 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.99989 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.610, 79.610, 95.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.730 - 1.920 |
R-factor | 0.2168 |
Rwork | 0.214 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oo1 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.632 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 14001 | 1012 |
<I/σ(I)> | 31.84 | |
Completeness [%] | 98.9 | 97.7 |
Redundancy | 25.2 | |
CC(1/2) | 1.000 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 200 mM potassium sodium tatrate 100 mM sodium citrate pH 5.6 2 M ammonium sulfate |