8KHG
Itaconyl-CoA hydratase PaIch
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 | 2020-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.326, 103.653, 109.277 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.440 - 2.600 |
R-factor | 0.2017 |
Rwork | 0.195 |
R-free | 0.26190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.002 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.440 | 2.900 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 16622 | 1196 |
<I/σ(I)> | 20.9 | |
Completeness [%] | 99.3 | |
Redundancy | 12.8 | |
CC(1/2) | 0.997 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M Ammonium citratetribasic, 18% PEG3350 |