6QJU
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine
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 | 2017-02-23 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.951, 62.071, 84.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.672 - 1.202 |
R-factor | 0.1414 |
Rwork | 0.141 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nxb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.058 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.672 | 1.270 |
High resolution limit [Å] | 1.202 | 1.202 |
Rmeas | 0.040 | 0.340 |
Number of reflections | 151382 | 26179 |
<I/σ(I)> | 25.48 | 5.11 |
Completeness [%] | 93.6 | 82.6 |
Redundancy | 6.82 | 6.8 |
CC(1/2) | 1.000 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.20 M KSCN, 0.1 M BTPop, 20% PEG3350, 10% EtGly, soaked with 14% DMSO containing 42mM 3-bromo-1H-imidazol-5-amine |