8TE8
Crystal Structure of Pyridoxal Reductase (PDXI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-24 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.523, 74.924, 85.134 |
| Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
| Resolution | 27.992 - 2.200 |
| R-factor | 0.1831 |
| Rwork | 0.180 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.114 |
| Data reduction software | CrysalisPro (41_64.122a) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.992 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.107 | 0.401 |
| Rmeas | 0.118 | 0.444 |
| Rpim | 0.048 | 0.188 |
| Total number of observations | 14089 | |
| Number of reflections | 29498 | 2563 |
| <I/σ(I)> | 10.6 | 3.8 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.8 | 5.5 |
| CC(1/2) | 0.997 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES/NaOH, pH6.5, 30% PEG400, 0.1M MgCl2 |
