3NXB
Crystal Structure of the Bromodomain of human CECR2
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 | 2010-06-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.542 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.160, 45.510, 45.590 |
| Unit cell angles | 90.00, 105.67, 90.00 |
Refinement procedure
| Resolution | 29.250 - 1.830 |
| R-factor | 0.1784 |
| Rwork | 0.176 |
| R-free | 0.21360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Ensemble of PDB entries 2OSS 2ouo 2grc 2oo1 3dai 3d7c 3dwy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.423 |
| 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] | 29.250 | 22.919 | 1.920 |
| High resolution limit [Å] | 1.830 | 5.770 | 1.830 |
| Rmerge | 0.058 | 0.033 | 0.541 |
| Total number of observations | 2515 | 10773 | |
| Number of reflections | 22346 | ||
| <I/σ(I)> | 11.7 | 16.2 | 1.4 |
| Completeness [%] | 99.3 | 98.4 | 98.4 |
| Redundancy | 3.5 | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M MES, 12% PEG 20,000, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 6.5 |
