6NI8
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-04-03 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.195, 58.130, 69.120 |
| Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
| Resolution | 34.590 - 1.450 |
| R-factor | 0.11211 |
| Rwork | 0.110 |
| R-free | 0.14999 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3non |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.616 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.570 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.058 | 0.665 |
| Rmeas | 0.070 | 0.811 |
| Rpim | 0.038 | 0.455 |
| Number of reflections | 73846 | 3491 |
| <I/σ(I)> | 9.3 | 1.1 |
| Completeness [%] | 99.8 | 95.5 |
| Redundancy | 3.1 | 2.8 |
| CC(1/2) | 0.997 | 0.617 |
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 dithiotheritol |
