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 |