3NOV
Crystal Structure of D17E 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 |
| Wavelength(s) | 0.9 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 38.699, 102.569, 121.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.050 |
| R-factor | 0.1428 |
| Rwork | 0.142 |
| R-free | 0.17430 |
| 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] | 37.000 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.080 | 0.870 |
| Number of reflections | 111571 | |
| <I/σ(I)> | 32.9 | 1.9 |
| Completeness [%] | 99.2 | 98 |
| Redundancy | 8.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 12% PEG 4000, 240 mM ammonium acetate, 100 mM sodium acetate pH=4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
