4A9H
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-07 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.232, 55.531, 67.975 |
Unit cell angles | 90.00, 94.85, 90.00 |
Refinement procedure
Resolution | 67.880 - 2.050 |
R-factor | 0.16106 |
Rwork | 0.159 |
R-free | 0.20463 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.106 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.880 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.080 | 0.380 |
Number of reflections | 26554 | |
<I/σ(I)> | 2 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 293 | 0.1M HEPES, PH 8.0 30% PEG3350, 0.2M (NH4)2SO4, 20C |