6U8I
BRD4-BD2 in complex with the cyclic peptide 3.2_2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-30 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 4 |
Unit cell lengths | 69.775, 69.775, 32.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.890 - 2.500 |
R-factor | 0.1917 |
Rwork | 0.189 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uuv |
RMSD bond length | 0.002 |
RMSD bond angle | 0.439 |
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] | 34.890 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 5558 | 611 |
<I/σ(I)> | 6.4 | |
Completeness [%] | 100.0 | |
Redundancy | 4.9 | |
CC(1/2) | 0.985 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium iodide, 0.1 M Bis-Tris propane 7.5, 20 % w/v PEG 3350 |