6H3F
Staphylopine dehydrogenase in complex with staphylopine and NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 187.180, 49.140, 58.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 93.590 - 2.210 |
| R-factor | 0.22113 |
| Rwork | 0.218 |
| R-free | 0.28848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gmz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.829 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.590 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 118664 | |
| <I/σ(I)> | 10.8 | 2.2 |
| Completeness [%] | 99.4 | 99.6 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M ammonium acetate, 20-25% PEG 3350 |
