7LD7
G150A Pseudomonas fluorescens isocyanide hydratase (G150A-2) 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 | P 1 21 1 |
Unit cell lengths | 57.155, 57.870, 68.988 |
Unit cell angles | 90.00, 112.74, 90.00 |
Refinement procedure
Resolution | 38.490 - 1.250 |
R-factor | 0.119 |
Rwork | 0.118 |
R-free | 0.14330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ni5 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.815 |
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] | 39.000 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmeas | 0.071 | 1.851 |
Number of reflections | 109380 | 5115 |
<I/σ(I)> | 7 | 0.8 |
Completeness [%] | 95.6 | 90.1 |
Redundancy | 3 | 2.9 |
CC(1/2) | 0.998 | 0.317 |
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 |