3NON
Crystal Structure of Isocyanide Hydratase from Pseudomonas fluorescens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-24 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.576, 56.466, 68.233 |
Unit cell angles | 90.00, 112.49, 90.00 |
Refinement procedure
Resolution | 37.000 - 1.050 |
R-factor | 0.139 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p5f |
RMSD bond length | 0.006 |
RMSD bond angle | 0.020 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.000 | 1.090 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.070 | 0.700 |
Number of reflections | 179412 | |
<I/σ(I)> | 22.8 | 2.1 |
Completeness [%] | 97.1 | 94.2 |
Redundancy | 6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.6 | 298 | 24-26% PEG 3350, 200-250 mM magnesium chloride, 100 mM Tris-HCl pH=8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |