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 |