6JXN
Crystal Structure of Indigo reductase from Bacillus smithii type strain DSM 4216
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.480, 105.140, 87.780 |
| Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
| Resolution | 35.620 - 1.970 |
| Rwork | 0.178 |
| R-free | 0.18580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w78 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.620 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.159 | 0.061 |
| Number of reflections | 62256 | 9820 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 40% PEG 600, 0.1 M CHES |
