7EVJ
Crystal structure of CBP bromodomain liganded with 9c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 79.450, 79.450, 45.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.180 - 2.570 |
| R-factor | 0.1882 |
| Rwork | 0.187 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xxh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.864 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 79.450 | 79.450 | 2.680 |
| High resolution limit [Å] | 2.570 | 8.900 | 2.570 |
| Rmerge | 0.107 | 0.039 | 0.542 |
| Rmeas | 0.112 | 0.041 | 0.566 |
| Rpim | 0.032 | 0.014 | 0.161 |
| Total number of observations | 59161 | 1431 | 7211 |
| Number of reflections | 4962 | 155 | 593 |
| <I/σ(I)> | 18.3 | 33.7 | 5.3 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 11.9 | 9.2 | 12.2 |
| CC(1/2) | 0.998 | 0.998 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.2 M NH4H2PO4, 20% PEG 3350, pH 4.6, and 20% Gly |
