7F5E
Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.448, 27.157, 38.697 |
Unit cell angles | 90.00, 98.53, 90.00 |
Refinement procedure
Resolution | 29.452 - 2.200 |
R-factor | 0.191574074786 |
Rwork | 0.187 |
R-free | 0.27262 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qzt |
RMSD bond length | 0.009 |
RMSD bond angle | 0.967 |
Data reduction software | HKL-3000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.099 | 0.537 |
Rmeas | 0.108 | 0.385 |
Rpim | 0.043 | 0.162 |
Number of reflections | 5770 | 462 |
<I/σ(I)> | 15.3 | |
Completeness [%] | 95.4 | |
Redundancy | 5.8 | |
CC(1/2) | 0.987 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% PEG 3350 |