5G4S
BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Collection date | 2014-09-04 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 60.530, 60.530, 85.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.330 - 1.600 |
R-factor | 0.18699 |
Rwork | 0.187 |
R-free | 0.19373 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.082 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.330 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.360 |
Number of reflections | 21557 | |
<I/σ(I)> | 26.4 | 8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.6 | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1M MORPHEUS BUFFER 1, PH 6.5 37.5% MPD_P1K_P3350 10% MORPHEUS NITRATE-PHOSPHATE-SULPHATE |