6U4A
BRD3-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 | 2019-02-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.825, 64.419, 87.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.820 - 1.880 |
R-factor | 0.1649 |
Rwork | 0.164 |
R-free | 0.18810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s91 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.674 |
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] | 43.840 | 1.920 |
High resolution limit [Å] | 1.880 | 1.880 |
Number of reflections | 23076 | 1421 |
<I/σ(I)> | 16.4 | |
Completeness [%] | 99.9 | |
Redundancy | 7.4 | |
CC(1/2) | 0.990 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium sulfate 0.1 M Bis-Tris propane 8.5 20 % w/v PEG 3350 |