6NI7
Pseudomonas fluorescens isocyanide hydratase at 277 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2015-03-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97534 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.154, 57.965, 69.092 |
Unit cell angles | 90.00, 112.77, 90.00 |
Refinement procedure
Resolution | 38.532 - 1.150 |
R-factor | 0.1139 |
Rwork | 0.113 |
R-free | 0.13530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3non |
RMSD bond length | 0.008 |
RMSD bond angle | 1.020 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.870 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.051 | 0.766 |
Rmeas | 0.059 | 0.959 |
Rpim | 0.029 | 0.569 |
Number of reflections | 145885 | 6657 |
<I/σ(I)> | 12.5 | 0.8 |
Completeness [%] | 98.9 | 91.2 |
Redundancy | 3.5 | 2.3 |
CC(1/2) | 0.999 | 0.488 |
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 |