8KHL
(S)-citramalyl-CoA lyase
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 | 2021-10-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 96.107, 79.067, 121.783 |
Unit cell angles | 90.00, 102.09, 90.00 |
Refinement procedure
Resolution | 28.570 - 2.400 |
R-factor | 0.219 |
Rwork | 0.217 |
R-free | 0.25220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.404 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.570 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 34796 | 3645 |
<I/σ(I)> | 9.1 | |
Completeness [%] | 99.3 | |
Redundancy | 4.9 | |
CC(1/2) | 0.989 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 8%v/v TacsimateTM, pH 8.0, 20% PEG 3350 |