6JIT
Complex structure of an imine reductase at 2.05 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 106.598, 106.598, 168.343 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.951 - 2.052 |
R-factor | 0.1909 |
Rwork | 0.190 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jiz |
RMSD bond length | 0.003 |
RMSD bond angle | 0.567 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.234 | 1.771 |
Number of reflections | 68583 | |
<I/σ(I)> | 16.6 | |
Completeness [%] | 100.0 | |
Redundancy | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 5M ammonium acetate, 0.1M Tris-HCl pH 9.0 |