5A9R
Apo form of Imine reductase from Amycolatopsis orientalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2014-02-02 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.580, 89.620, 91.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.780 - 1.550 |
| R-factor | 0.18243 |
| Rwork | 0.181 |
| R-free | 0.21378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgy |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.115 |
| 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] | 57.780 | 1.590 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.040 | 0.700 |
| Number of reflections | 44372 | |
| <I/σ(I)> | 20.4 | 3.1 |
| Completeness [%] | 98.1 | 96.6 |
| Redundancy | 6.7 | 6.8 |
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 |
