9MXY
Pseudomonas fluorescens isocyanide hydratase D17N mutant, pH=6.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.82653 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.079, 40.828, 83.560 |
| Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
| Resolution | 37.370 - 1.150 |
| R-factor | 0.1266 |
| Rwork | 0.125 |
| R-free | 0.15760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.901 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.370 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmeas | 0.111 | 2.369 |
| Number of reflections | 122870 | 5516 |
| <I/σ(I)> | 9.6 | 1.2 |
| Completeness [%] | 92.4 | 84 |
| Redundancy | 7.3 | 6.7 |
| CC(1/2) | 0.999 | 0.401 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 23% PEG 3350, 200 mM MgCl2, 100 mM MES pH=6.5 |
