5IID
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one
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 | 2011-07-05 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.52 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.500, 56.400, 139.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.600 - 2.400 |
| R-factor | 0.2207 |
| Rwork | 0.217 |
| R-free | 0.28170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Ensemble of 3MB4 3dai 3hmh 2grc 2oss 2ouo 3d7c 3dwy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.471 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 18.632 | 18.632 | 2.530 |
| High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
| Rmerge | 0.104 | 0.024 | 0.784 |
| Number of reflections | 13364 | ||
| <I/σ(I)> | 10.4 | 24.1 | 1 |
| Completeness [%] | 99.3 | 92.2 | 97 |
| Redundancy | 4.6 | 4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.20M Na2SO4 0.1M BTProp pH 8.5 20.0% PEG 3350 10.0% EtGly |
