5E7D
Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl 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 | 2011-03-29 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.52 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.790, 135.664, 56.045 |
| Unit cell angles | 90.00, 90.60, 90.00 |
Refinement procedure
| Resolution | 23.800 - 1.870 |
| R-factor | 0.2026 |
| Rwork | 0.201 |
| R-free | 0.24830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.364 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.819 | 23.819 | 1.970 |
| High resolution limit [Å] | 1.866 | 5.910 | 1.870 |
| Rmerge | 0.069 | 0.040 | 0.632 |
| Rmeas | 0.079 | ||
| Rpim | 0.037 | 0.024 | 0.369 |
| Total number of observations | 196359 | 4703 | 21051 |
| Number of reflections | 44203 | ||
| <I/σ(I)> | 12.1 | 25.8 | 2 |
| Completeness [%] | 87.7 | 85.3 | 76.7 |
| Redundancy | 4.4 | 3.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M Na2SO4 20w/v PEG_3350 10v/v ethylene_glycol |
