6U61
BRD2-BD1 in complex with the cyclic peptide 3.1_3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 69.538, 86.752, 115.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.380 - 2.290 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oni |
RMSD bond length | 0.002 |
RMSD bond angle | 0.519 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.110 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Number of reflections | 16100 | 1500 |
<I/σ(I)> | 13.9 | 4.3 |
Completeness [%] | 99.6 | |
Redundancy | 12.7 | |
CC(1/2) | 0.997 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.01 M Zinc chloride, 0.1 M MES pH 6.0, 20 % w/v PEG 6000 |