7L9Q
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-1) at 274K, Refmac5-refined
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 274 |
| Detector technology | PIXEL |
| Collection date | 2019-11-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.305, 58.188, 69.015 |
| Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
| Resolution | 39.142 - 1.149 |
| Rwork | 0.121 |
| R-free | 0.14400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ni6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.493 |
| Data reduction software | autoXDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.142 | 1.170 |
| High resolution limit [Å] | 1.149 | 1.149 |
| Rmeas | 0.058 | 1.280 |
| Number of reflections | 138486 | 6553 |
| <I/σ(I)> | 12.9 | 1.4 |
| Completeness [%] | 93.5 | 89.3 |
| Redundancy | 3.9 | 3.7 |
| CC(1/2) | 0.999 | 0.483 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 23% PEG3350, 100 mM Tris-HCl, pH 8.6, 200 mM magnesium chloride, 2 mM DTT |
