7RWP
Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 27.131, 66.337, 70.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.310 - 1.730 |
R-factor | 0.1768 |
Rwork | 0.175 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jt4 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.310 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.053 | 0.381 |
Number of reflections | 13678 | 745 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 98.7 | |
Redundancy | 1.8 | |
CC(1/2) | 0.998 | 0.731 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20% (v/v) PEG 3350 |