7K6G
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to ERK5-IN-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-26 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.997 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.240, 59.630, 123.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.470 - 1.700 |
R-factor | 0.1718 |
Rwork | 0.171 |
R-free | 0.20420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o74 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.470 | 34.470 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.095 | 0.048 | 0.743 |
Rmeas | 0.102 | 0.053 | 0.799 |
Total number of observations | 254243 | ||
Number of reflections | 34775 | 462 | 2476 |
<I/σ(I)> | 14.71 | 30.15 | 3.09 |
Completeness [%] | 99.0 | 98.7 | 98.3 |
Redundancy | 7.311 | 6 | 7.409 |
CC(1/2) | 0.998 | 0.996 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M Ammonium sulphate, 0.1 M Tris (pH 8.5), 25 % w/v PEG 3,350 |