8ID1
Crystal structure of N-Methyl-cis-4-hydroxy-L-proline dehydratase in Intestinibacter bartlettii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-11 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 142.747, 142.747, 101.032 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.516 - 3.115 |
| R-factor | 0.2209 |
| Rwork | 0.211 |
| R-free | 0.30940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.361 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.470 | 3.280 |
| High resolution limit [Å] | 3.110 | 3.110 |
| Rmerge | 0.237 | 1.508 |
| Rmeas | 0.245 | 1.556 |
| Rpim | 0.059 | 0.381 |
| Total number of observations | 315129 | 44587 |
| Number of reflections | 19290 | 2763 |
| <I/σ(I)> | 13.3 | 2.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 16.3 | 16.1 |
| CC(1/2) | 0.998 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M sodium chloride, 0.1 M Bis-Tris, pH 6.5, 1.5 M ammonium sulfate, 50 mM cis-N-Methylhydroxy-L-proline |
