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 |
