7TUQ
Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-CoV-2 E
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-20 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 78.463, 91.392, 100.268 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.580 - 2.680 |
R-factor | 0.222 |
Rwork | 0.216 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jvk |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.580 | 41.580 | 2.840 |
High resolution limit [Å] | 2.680 | 7.900 | 2.680 |
Rmerge | 0.084 | 0.024 | 0.242 |
Rmeas | 0.105 | 0.030 | 0.309 |
Total number of observations | 49987 | ||
Number of reflections | 10335 | 737 | 2863 |
<I/σ(I)> | 11.58 | 30.8 | 2.72 |
Completeness [%] | 96.4 | 96.3 | 89.8 |
Redundancy | 2.637 | 2.384 | 2.414 |
CC(1/2) | 0.999 | 0.999 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.5 M ammonium sulfate, 0.1 M Tris, pH 8.5, 12% glycerol |