5G1C
Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 101.099, 101.099, 175.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.550 - 1.810 |
| R-factor | 0.17335 |
| Rwork | 0.171 |
| R-free | 0.21853 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g0x |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.605 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.450 | 1.850 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.140 | 0.690 |
| Number of reflections | 82927 | |
| <I/σ(I)> | 15.4 | 5.3 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 20.6 | 21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.25 | pH 5.25 |
