8Y12
NADPH complex of Imine Reductase from Pochonia chlamydosporia 170
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-25 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.802, 114.091, 62.870 |
| Unit cell angles | 90.00, 99.34, 90.00 |
Refinement procedure
| Resolution | 33.080 - 2.100 |
| R-factor | 0.18502 |
| Rwork | 0.181 |
| R-free | 0.25489 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.579 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.080 | 2.130 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.154 | |
| Number of reflections | 30773 | 1428 |
| <I/σ(I)> | 17.53 | 4.33 |
| Completeness [%] | 99.1 | 88.1 |
| Redundancy | 5.29 | 2.67 |
| CC(1/2) | 0.054 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 3350, magnesium chloride, Tris-Hcl 8.5 |
