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 |
