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 |