6U6K
BRD4-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 | 2018-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 121.957, 41.903, 29.538 |
Unit cell angles | 90.00, 94.20, 90.00 |
Refinement procedure
Resolution | 39.620 - 1.700 |
R-factor | 0.1818 |
Rwork | 0.180 |
R-free | 0.21770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lyi |
RMSD bond length | 0.007 |
RMSD bond angle | 0.934 |
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] | 39.620 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 16495 | 887 |
<I/σ(I)> | 9 | |
Completeness [%] | 99.7 | |
Redundancy | 3.3 | |
CC(1/2) | 0.997 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MMT 7.0 25 % w/v PEG 1500 |