5XHE
Crystal structure analysis of the second bromodomain of BRD2 covalently linked to b-mercaptoethanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.90 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.190, 52.450, 71.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.400 |
R-factor | 0.14501 |
Rwork | 0.144 |
R-free | 0.17155 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.268 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.367 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.079 | 0.583 |
Rmeas | 0.086 | 0.639 |
Rpim | 0.035 | 0.256 |
Number of reflections | 24042 | |
<I/σ(I)> | 12.9 | 2.9 |
Completeness [%] | 98.3 | 97 |
Redundancy | 6 | 6 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 22% PEG 2000, 5mM b-ME, 10% Glycerol, 50mM Tris-Cl |