3NOQ
Crystal Structure of C101S 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 | 2007-03-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.313, 56.403, 68.296 |
| Unit cell angles | 90.00, 112.42, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.000 |
| R-factor | 0.1248 |
| Rwork | 0.124 |
| R-free | 0.14610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p5f |
| 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] | 37.000 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.050 | 0.560 |
| Number of reflections | 208883 | |
| <I/σ(I)> | 23 | 2.1 |
| Completeness [%] | 98.4 | 96.4 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.3 | 298 | 24-26% PEG 3350, 200-250 mM magnesium chloride, 100 mM CHES pH=9.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
