8TEZ
Crystal Structure of Pyridoxal Reductase (PDXI)in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-01 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.713, 76.064, 85.759 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 26.489 - 2.300 |
| R-factor | 0.2142 |
| Rwork | 0.210 |
| R-free | 0.28340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.176 |
| 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] | 26.490 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.112 | 0.437 |
| Rmeas | 0.121 | 0.473 |
| Rpim | 0.047 | 0.181 |
| Total number of observations | 183688 | 18133 |
| Number of reflections | 27634 | 2700 |
| <I/σ(I)> | 11.8 | 4 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 0.997 | 0.959 |
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 |
