9RCO
1,2-propanediol dehydratase with 0.1 % glycerol additive
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2025-02-10 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.529, 199.413, 118.100 |
| Unit cell angles | 90.00, 107.02, 90.00 |
Refinement procedure
| Resolution | 72.610 - 1.700 |
| R-factor | 0.1831 |
| Rwork | 0.182 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.979 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.710 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.161 | 1.605 |
| Rmeas | 0.189 | 1.883 |
| Rpim | 0.099 | 0.980 |
| Number of reflections | 387685 | 18961 |
| <I/σ(I)> | 7 | 1 |
| Completeness [%] | 98.5 | 97.4 |
| Redundancy | 7.1 | 7.2 |
| CC(1/2) | 0.993 | 0.433 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.6 M ammonium acetate, 4% PEG 4000, 0.1 M Tris-HCl |
