6INW
A Pericyclic Reaction enzyme
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 | 2018-04-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 160.842, 62.201, 113.556 |
Unit cell angles | 90.00, 113.50, 90.00 |
Refinement procedure
Resolution | 41.906 - 1.798 |
R-factor | 0.1675 |
Rwork | 0.166 |
R-free | 0.20320 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.737 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AutoSol |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.798 | 1.798 |
Number of reflections | 86401 | 5175 |
<I/σ(I)> | 16.7 | |
Completeness [%] | 98.7 | |
Redundancy | 6.3 | |
CC(1/2) | 0.999 | 0.534 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 20000, MES pH 6.5 |