7MS9
Crystal structure of E114D mutant of Cg10062 with a covalent intermediate of the hydration of acetylenecarboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-02 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 107.319, 146.299, 146.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.090 - 2.200 |
R-factor | 0.1839 |
Rwork | 0.183 |
R-free | 0.23470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ms0 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.580 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.090 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.116 | |
Rmeas | 0.127 | |
Rpim | 0.050 | 0.826 |
Number of reflections | 116532 | 11226 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 99.5 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | 100 mM potassium sulfate, 10% w/v PEG3350 |