8TSZ
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
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 | C 1 2 1 |
Unit cell lengths | 72.130, 59.660, 56.171 |
Unit cell angles | 90.00, 115.86, 90.00 |
Refinement procedure
Resolution | 35.160 - 1.100 |
R-factor | 0.117 |
Rwork | 0.116 |
R-free | 0.13380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.972 |
Data reduction software | autoXDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.160 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmeas | 0.057 | 1.839 |
Number of reflections | 82868 | 3983 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 95.7 | 93.4 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.998 | 0.334 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 23% polyethylene glycol (PEG) 3350, 100mM Tris-HCl, pH 8.6, 200mM magnesium chloride, and 2mM dithiothreitol (DTT) |