2NO5
Crystal Structure analysis of a Dehalogenase with intermediate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-07-16 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 103.743, 103.743, 134.794 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.240 - 2.600 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.25200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2no4 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.845 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.240 | 2.670 |
High resolution limit [Å] | 2.600 | 2.580 |
Rmerge | 0.133 | |
Number of reflections | 26322 | |
<I/σ(I)> | 10.13 | 1.41 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.49 | 3.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 20% PEG 4000, 0.65M Ammonium Sulphate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |