4PCI
Crystal Structure of the first bromodomain of BRD4 in complex with B16
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 | 2014-03-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99989 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.411, 44.392, 78.246 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.123 - 1.250 |
R-factor | 0.1467 |
Rwork | 0.146 |
R-free | 0.16870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ioo |
RMSD bond length | 0.008 |
RMSD bond angle | 1.175 |
Data reduction software | XDS (VERSION January 10, 2014 BUILT=20140115) |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX ((phenix.refine: 1.9_1678)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.392 | 44.392 | 1.320 |
High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
Rmerge | 0.064 | 0.617 | |
Rmeas | 0.088 | ||
Rpim | 0.026 | 0.020 | 0.231 |
Total number of observations | 424194 | 13998 | 39548 |
Number of reflections | 36350 | ||
<I/σ(I)> | 16.3 | 34.9 | 4.9 |
Completeness [%] | 98.7 | 99.7 | 91.7 |
Redundancy | 11.7 | 10.7 | 8.2 |
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 |