6NI4
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
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 | 2015-03-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9753 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.110, 59.744, 56.125 |
Unit cell angles | 90.00, 115.86, 90.00 |
Refinement procedure
Resolution | 35.144 - 1.100 |
R-factor | 0.1108 |
Rwork | 0.110 |
R-free | 0.12830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3non |
RMSD bond length | 0.011 |
RMSD bond angle | 1.376 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.500 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.035 | 0.460 |
Rmeas | 0.042 | 0.590 |
Rpim | 0.022 | 0.365 |
Number of reflections | 84284 | 8284 |
<I/σ(I)> | 9.7 | 1.4 |
Completeness [%] | 97.2 | 95.9 |
Redundancy | 2.7 | 2 |
CC(1/2) | 0.999 | 0.715 |
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, 2 mM DTT |