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 |
