9NF6
Cg10062 E114N mutant with a covalent hydroxypropionate and acrylate 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 | 2021-12-15 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 1.13 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.396, 88.062, 79.318 |
| Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
| Resolution | 33.490 - 2.630 |
| R-factor | 0.2018 |
| Rwork | 0.194 |
| R-free | 0.29280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.162 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rpim | 0.101 | 0.459 |
| Number of reflections | 29108 | 1475 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 96.6 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Ammonium sulfate 20% w/v PEG 3,350 |
