4IOO
Crystal Structure of the first bromodomain of BRD4 in complex with N-methyltrimethylacetamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9724 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.199, 44.128, 77.963 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.980 - 1.250 |
R-factor | 0.15 |
Rwork | 0.149 |
R-free | 0.16660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.720 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.981 | 44.128 | 1.320 |
High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
Rmerge | 0.061 | 0.496 | |
Total number of observations | 5228 | 18596 | |
Number of reflections | 35963 | ||
<I/σ(I)> | 8.9 | 5.7 | 1.5 |
Completeness [%] | 99.1 | 100 | 96.7 |
Redundancy | 4.3 | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | 16% PEG 3350, 20% ethylene glycol, pH 7.5, vapor diffusion, temperature 277K |