6YTM
Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.050, 50.530, 130.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.120 - 1.560 |
R-factor | 0.1743 |
Rwork | 0.173 |
R-free | 0.20370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o3d |
RMSD bond length | 0.009 |
RMSD bond angle | 0.888 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.240 | 65.240 | 1.640 |
High resolution limit [Å] | 1.560 | 4.920 | 1.560 |
Rmerge | 0.185 | 0.076 | 1.489 |
Rmeas | 0.193 | 0.080 | 1.563 |
Rpim | 0.054 | 0.024 | 0.463 |
Total number of observations | 405808 | 12563 | 51526 |
Number of reflections | 32946 | 1209 | 4662 |
<I/σ(I)> | 13.9 | 29.7 | 3.1 |
Completeness [%] | 99.0 | 100 | 98 |
Redundancy | 12.3 | 10.4 | 11.1 |
CC(1/2) | 0.998 | 0.997 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.75 | 293 | 0.1 M Tris pH 8.75, 55% pentaerythiol propoxylate (5/4 PO/OH) |