7DHS
Crystal Structure Analysis of the BRD4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2015-05-23 |
Detector | Nonius Kappa CCD |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.690, 78.650, 47.540 |
Unit cell angles | 90.00, 93.49, 90.00 |
Refinement procedure
Resolution | 36.620 - 1.760 |
R-factor | 0.2321 |
Rwork | 0.231 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yqx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.589 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.450 | 36.620 | 1.800 |
High resolution limit [Å] | 1.760 | 8.990 | 1.760 |
Rmerge | 0.076 | 0.042 | 0.644 |
Rmeas | 0.098 | 0.055 | 0.846 |
Rpim | 0.062 | 0.034 | 0.542 |
Number of reflections | 21704 | 161 | 1227 |
<I/σ(I)> | 5.9 | ||
Completeness [%] | 82.3 | 77 | 84.8 |
Redundancy | 1.8 | 2.4 | 1.7 |
CC(1/2) | 0.993 | 0.993 | 0.634 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M HEPES, 0.2M NaNO3, 10% ethylene glycol, 20% PEG 3350, pH 6.5 |