7MS1
Crystal structure of H28A 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 41 3 2 |
| Unit cell lengths | 146.040, 146.040, 146.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.420 - 2.950 |
| Rwork | 0.212 |
| R-free | 0.30090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ms0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.258 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.420 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.163 | 1.000 |
| Rmeas | 0.179 | |
| Rpim | 0.071 | |
| Number of reflections | 11335 | 1112 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 96.5 | |
| Redundancy | 5.9 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 300 | 50 mM ammonium acetate, 25 mM sodium citrate tribasic dihydrate, pH 5.6, 7.5% w/v PEG4000 |
