7L9S
Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-2) at 274K, Refmac5-refined
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 | 2018-11-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.775 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.297, 58.215, 69.052 |
Unit cell angles | 90.00, 112.83, 90.00 |
Refinement procedure
Resolution | 38.672 - 1.200 |
Rwork | 0.123 |
R-free | 0.15230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ni6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.520 |
Data reduction software | autoXDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.672 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmeas | 0.068 | 1.768 |
Number of reflections | 127238 | 6125 |
<I/σ(I)> | 6.8 | 0.8 |
Completeness [%] | 97.4 | 94.3 |
Redundancy | 2.7 | 2.5 |
CC(1/2) | 0.998 | 0.257 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 23% PEG3350, 100 mM Tris-HCl, pH 8.6, 200 mM magnesium chloride, 2 mM DTT |