7M2E
Crystal structure of BPTF bromodomain in complex with CB02-092
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 | PIXEL |
Collection date | 2021-03-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.006, 66.546, 39.623 |
Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
Resolution | 33.270 - 1.750 |
R-factor | 0.1697 |
Rwork | 0.167 |
R-free | 0.21470 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3uv2 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (1.18) |
Refinement software | PHENIX (1.18) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.148 | 0.064 | 0.332 |
Rmeas | 0.172 | 0.073 | 0.401 |
Rpim | 0.086 | 0.035 | 0.220 |
Number of reflections | 12469 | 693 | 538 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 91.5 | 98 | 78.3 |
Redundancy | 3.8 | 4.5 | 2.9 |
CC(1/2) | 0.959 | 0.995 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0. 2M NaCl and 23% PEG 3350 |