7L9W
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-3) 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 | 2018-11-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.310, 58.215, 69.030 |
| Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
| Resolution | 39.152 - 1.199 |
| Rwork | 0.124 |
| R-free | 0.15100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ni6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.529 |
| 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] | 39.152 | 1.220 |
| High resolution limit [Å] | 1.199 | 1.199 |
| Rmeas | 0.069 | 1.737 |
| Number of reflections | 126107 | 5967 |
| <I/σ(I)> | 7.1 | 1.1 |
| Completeness [%] | 96.5 | 91.9 |
| Redundancy | 3.7 | 3.5 |
| CC(1/2) | 0.997 | 0.309 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 23% PEG 3350, 100MM TRIS-HCL PH 8.6, 200 MM MAGNESIUM CHLORIDE AND 2 MM DITHIOTHREITOL |
