6NI9
Pseudomonas fluorescens isocyanide hydratase at 274 K qFit multiconformer model
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 | 2016-02-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.82654 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.241, 58.032, 69.086 |
| Unit cell angles | 90.00, 112.83, 90.00 |
Refinement procedure
| Resolution | 31.837 - 1.201 |
| R-factor | 0.1094 |
| Rwork | 0.108 |
| R-free | 0.14020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3non |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.399 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.040 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.058 | 1.349 |
| Rmeas | 0.072 | 1.689 |
| Rpim | 0.041 | 1.001 |
| Number of reflections | 126373 | 5922 |
| <I/σ(I)> | 10.4 | 1.8 |
| Completeness [%] | 97.4 | 92.7 |
| Redundancy | 2.9 | 2.8 |
| CC(1/2) | 0.991 | 0.225 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 25% PEG 3350, 200 mM magnesium chloride, 100mM Tris-HCl, pH 8.6 |
