2WP1
Structure of Brdt bromodomain 2 bound to an acetylated histone H3 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-26 |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 101.300, 101.300, 79.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.100 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e6i |
RMSD bond length | 0.008 |
RMSD bond angle | 1.207 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.110 | 0.610 |
Number of reflections | 22542 | |
<I/σ(I)> | 7 | 2.9 |
Completeness [%] | 91.2 | 93.9 |
Redundancy | 7.7 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | BRDT BD2 PROTEIN AT 25 MG/ML WAS MIXED WITH H3-ACK18 PEPTIDE IN A 1:5 MOLAR RATIO. CRYSTALLIZATION WAS BY THE HANGING DROP VAPOUR DIFFUSION METHOD USING 2.0 M AMMONIUM SULFATE, 2% PEG 400, 0.1 M HEPES PH 7.5 |