3NOR
Crystal Structure of T102S Isocyanide Hydratase from Pseudomonas fluorescens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-11-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 38.602, 102.722, 121.105 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.000 - 1.900 |
| R-factor | 0.15759 |
| Rwork | 0.155 |
| R-free | 0.20196 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3noo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.096 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.560 |
| Number of reflections | 18463 | |
| <I/σ(I)> | 20.1 | 2.3 |
| Completeness [%] | 99.5 | 97.2 |
| Redundancy | 7.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 19-22% PEG 4000, 140-160 mM sodium citrate pH=5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
