5EA1
Crystal Structure of SMARCA4 bromodomain in complex with MPD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000 |
Spacegroup name | P 65 |
Unit cell lengths | 86.783, 86.783, 97.959 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.391 - 2.000 |
R-factor | 0.1939 |
Rwork | 0.192 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ir5 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.865 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.390 | 43.390 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.083 | 0.014 | 0.678 |
Rpim | 0.050 | 0.008 | 0.407 |
Total number of observations | 102791 | 1265 | 7513 |
Number of reflections | 28198 | ||
<I/σ(I)> | 13.1 | 64 | 2.1 |
Completeness [%] | 99.6 | 99.4 | 98 |
Redundancy | 3.6 | 3.8 | 3.7 |
CC(1/2) | 0.998 | 1.000 | 0.716 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG1000 (12.5%), PEG3350 (12.5%), MPD (12.5%) |