4YYG
Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-24 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.117, 69.825, 104.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.120 - 2.100 |
| R-factor | 0.2557 |
| Rwork | 0.253 |
| R-free | 0.31150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hme |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.967 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.091 | 0.048 | 0.632 |
| Total number of observations | 36832 | ||
| Number of reflections | 8638 | ||
| <I/σ(I)> | 8 | ||
| Completeness [%] | 95.2 | 98.3 | 83.5 |
| Redundancy | 4.3 | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.05 M calcium chloride dihydrate, 0.1 M Bis-Tris, pH 6.5, 30% v/v PEG550 MME |
