7LDM
G150T Pseudomonas fluorescens isocyanide hydratase (G150T-1) at 274K, Phenix-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 | I 1 2 1 |
Unit cell lengths | 56.295, 59.717, 69.504 |
Unit cell angles | 90.00, 110.88, 90.00 |
Refinement procedure
Resolution | 35.200 - 1.150 |
R-factor | 0.1226 |
Rwork | 0.122 |
R-free | 0.13870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ni4 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.805 |
Data reduction software | autoXDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.500 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmeas | 0.052 | 1.720 |
Number of reflections | 74206 | 3528 |
<I/σ(I)> | 12 | 0.9 |
Completeness [%] | 97.4 | 94.3 |
Redundancy | 3.8 | 3.5 |
CC(1/2) | 0.999 | 0.366 |
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 Dithiothreitol |