5HCL
Crystal Structure of the first bromodomain of BRD4 in complex with DMA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000043 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.615, 43.830, 78.459 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.229 - 1.500 |
R-factor | 0.1466 |
Rwork | 0.145 |
R-free | 0.17540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pci |
RMSD bond length | 0.006 |
RMSD bond angle | 0.819 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.229 | 39.229 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.028 | 0.045 | |
Rmeas | 0.034 | ||
Rpim | 0.013 | 0.012 | 0.020 |
Total number of observations | 137442 | 4448 | 18719 |
Number of reflections | 21250 | ||
<I/σ(I)> | 42.5 | 53.8 | 28.2 |
Completeness [%] | 99.2 | 98.2 | 98.1 |
Redundancy | 6.5 | 5.9 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.20M Sodium Nitrate, 20% PEG 3350, 10% ethylene glycol |