6LQX
Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-05-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97852 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.890, 68.789, 76.669 |
Unit cell angles | 90.00, 91.75, 90.00 |
Refinement procedure
Resolution | 38.220 - 2.460 |
R-factor | 0.1747 |
Rwork | 0.171 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uof |
RMSD bond length | 0.008 |
RMSD bond angle | 0.919 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.220 | 2.548 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.177 | |
Number of reflections | 16809 | 1643 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 98.4 | |
Redundancy | 6.5 | |
CC(1/2) | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 298 | 0.2 M Sodium phosphate monobasic monohydrate;20% w/v Polyethylene glycol 3,350;Ph 4.7 |