3NOO
Crystal Structure of C101A 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 | 2007-12-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.658, 40.391, 83.832 |
Unit cell angles | 90.00, 104.52, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.030 |
R-factor | 0.1303 |
Rwork | 0.129 |
R-free | 0.16610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3non |
RMSD bond length | 0.007 |
RMSD bond angle | 0.021 |
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] | 20.000 | 1.070 |
High resolution limit [Å] | 1.030 | 1.030 |
Rmerge | 0.060 | 0.570 |
Number of reflections | 178460 | |
<I/σ(I)> | 22.5 | 1.7 |
Completeness [%] | 99.0 | 94.9 |
Redundancy | 4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 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 |