2W98
CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-27 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.014, 82.793, 69.097 |
| Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
| Resolution | 53.400 - 1.850 |
| R-factor | 0.159 |
| Rwork | 0.158 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vna |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.591 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0055) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.370 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.050 | 0.160 |
| Number of reflections | 66348 | |
| <I/σ(I)> | 13.6 | 5.2 |
| Completeness [%] | 99.2 | 95.5 |
| Redundancy | 2.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.1M NA(MALATE) |
