5Z1S
Crystal Structure Analysis of the BRD4(1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2015-12-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97776 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.080, 47.090, 78.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.340 - 1.420 |
R-factor | 0.1816 |
Rwork | 0.180 |
R-free | 0.21980 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.954 |
Data reduction software | iMOSFLM |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.170 | 1.440 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.089 | 0.805 |
Rmeas | 0.093 | 0.841 |
Rpim | 0.027 | 0.238 |
Number of reflections | 25111 | 1208 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 11.3 | 12 |
CC(1/2) | 0.999 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG 3350, 0.1M HEPES, 10% EtGhly, PH7.0 |