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 |