6U8H
BRD2-BD1 in complex with the cyclic peptide 3.2_2
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 | 2018-08-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 89.587, 89.587, 71.592 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.440 - 2.070 |
R-factor | 0.1839 |
Rwork | 0.182 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oni |
RMSD bond length | 0.002 |
RMSD bond angle | 0.465 |
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] | 47.770 | 2.130 |
High resolution limit [Å] | 2.070 | 2.070 |
Number of reflections | 18193 | 1350 |
<I/σ(I)> | 25 | |
Completeness [%] | 99.7 | |
Redundancy | 12.2 | |
CC(1/2) | 0.999 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 100 | 0.2 M Sodium iodide 0.1 M Bis-Tris propane 7.5 20 % w/v PEG 3350 |