6JI3
BRD4-BD1 bound with ligand 103
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.042, 47.327, 77.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.953 - 2.200 |
R-factor | 0.1992 |
Rwork | 0.196 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xi3 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.905 |
Data reduction software | HKL-2000 |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.953 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.040 | 0.064 |
Number of reflections | 6902 | 998 |
<I/σ(I)> | 16.2 | |
Completeness [%] | 93.3 | |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 3.2-3.8 M NAFORMATE,10% GLYCEROL |