8TF1
Crystal Structure of Pyridoxal Reductase (PDXI)in complex with NADPH and Pyridoxal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-19 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 91.952, 75.745, 43.094 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.177 - 2.000 |
| R-factor | 0.1813 |
| Rwork | 0.179 |
| R-free | 0.23670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.227 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.180 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.068 | 0.443 |
| Rmeas | 0.073 | 0.479 |
| Rpim | 0.027 | 0.180 |
| Total number of observations | 147270 | 10752 |
| Number of reflections | 21054 | 1562 |
| <I/σ(I)> | 23.8 | 4.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | 6.9 |
| CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES/NaOH, pH 6.5, 30% PEG400, 0.1M MgCl2 |
