3TLP
Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.431, 60.220, 109.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 2.130 |
R-factor | 0.2037 |
Rwork | 0.201 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 3HMF 2oo1 3dai 3hmh 2oss 2ouo 3d7c 3dwy |
RMSD bond length | 0.016 |
RMSD bond angle | 1.324 |
Data reduction software | XDS |
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] | 19.750 | 19.750 | 2.250 |
High resolution limit [Å] | 2.130 | 6.740 | 2.130 |
Rmerge | 0.062 | 0.022 | 0.880 |
Total number of observations | 2446 | 11709 | |
Number of reflections | 18871 | ||
<I/σ(I)> | 14.3 | 23.5 | 0.9 |
Completeness [%] | 99.4 | 94.3 | 99.8 |
Redundancy | 4.4 | 3.9 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 25% PEG_MME_2000, 0.015M NiCl, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |