5G3W
Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-03 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 92.270, 130.140, 251.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 125.570 - 1.600 |
R-factor | 0.12701 |
Rwork | 0.125 |
R-free | 0.16662 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zz0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.538 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.670 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.100 | 0.460 |
Number of reflections | 197317 | |
<I/σ(I)> | 9.1 | 2.9 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 5.6 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.25 | PEG 400 MALATE IMIDAZOLE PH 5.25 |