4YYD
Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.437, 71.021, 102.373 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.590 - 1.520 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hme |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.242 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.570 |
| High resolution limit [Å] | 1.520 | 3.270 | 1.520 |
| Rmerge | 0.042 | 0.029 | 0.642 |
| Total number of observations | 118666 | ||
| Number of reflections | 20052 | ||
| <I/σ(I)> | 13.9 | ||
| Completeness [%] | 99.5 | 98.6 | 98.7 |
| Redundancy | 5.9 | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 M sodium malonate, pH 7.0, 20% w/v PEG3350 |
