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 |