8U04
Reductasporine biosynthetic pathway imine reductase RedE, apo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.780, 186.720, 71.690 |
| Unit cell angles | 90.00, 111.12, 90.00 |
Refinement procedure
| Resolution | 93.360 - 1.620 |
| R-factor | 0.1715 |
| Rwork | 0.164 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.516 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.360 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.095 | 1.425 |
| Rmeas | 0.103 | 1.546 |
| Rpim | 0.040 | 0.593 |
| Number of reflections | 154438 | 7659 |
| <I/σ(I)> | 11.9 | 1.6 |
| Completeness [%] | 96.3 | |
| Redundancy | 6.5 | 6.5 |
| CC(1/2) | 0.998 | 0.448 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 0.35 M NaI, 0.1 M Bicine pH 9, 25 % PEG 3350, 5 mM beta-mercaptoethanol |
