5A9S
NADPH complex of Imine Reductase from Amycolatopsis orientalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Collection date | 2014-05-22 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.790, 66.060, 147.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.290 - 2.060 |
| R-factor | 0.17583 |
| Rwork | 0.173 |
| R-free | 0.22525 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.867 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.290 | 2.110 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.080 | 0.700 |
| Number of reflections | 32831 | |
| <I/σ(I)> | 17.4 | 2.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M CALCIUM ACETATE, 0.1 M TRIS PH 9.0, 8% (W/V) PEG 550 MME, 8% (W/V) PEG 20K WITH PROTEIN AT A CONCENTRATION OF 20 MG PER ML |
