3P1F
Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-03 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.542 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.270, 38.620, 79.460 |
| Unit cell angles | 90.00, 127.67, 90.00 |
Refinement procedure
| Resolution | 28.590 - 1.630 |
| R-factor | 0.1836 |
| Rwork | 0.182 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.593 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.594 | 28.594 | 1.720 |
| High resolution limit [Å] | 1.630 | 5.160 | 1.630 |
| Rmerge | 0.054 | 0.032 | 0.517 |
| Total number of observations | 3893 | 14670 | |
| Number of reflections | 33252 | ||
| <I/σ(I)> | 13 | 12.6 | 1.5 |
| Completeness [%] | 99.7 | 99.4 | 98.9 |
| Redundancy | 3.5 | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.15M KSCN 20% PEG3350 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
