5AC0
ovis aries Aldehyde Dehydrogenase 1A1 in complex with a duocarmycin analog
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 | 2014-05-23 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.556, 150.644, 80.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.210 - 1.900 |
| R-factor | 0.15561 |
| Rwork | 0.153 |
| R-free | 0.19668 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x4l |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.887 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.200 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.120 | 1.020 |
| Number of reflections | 90805 | |
| <I/σ(I)> | 1.43 | |
| Completeness [%] | 99.8 | 98.1 |
| Redundancy | 6.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
