4Z93
BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.07820 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 51.862, 72.696, 32.115 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.770 - 1.270 |
R-factor | 0.1569 |
Rwork | 0.155 |
R-free | 0.18450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ouo |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.290 |
High resolution limit [Å] | 1.270 | 3.450 | 1.270 |
Rmerge | 0.045 | 0.036 | 0.326 |
Total number of observations | 202248 | ||
Number of reflections | 32674 | ||
<I/σ(I)> | 13.9 | ||
Completeness [%] | 98.9 | 96.1 | 96.7 |
Redundancy | 6.2 | 5.5 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Peg 400, Imidizole, ATP |