2ZZD
Recombinant thiocyanate hydrolase, air-oxidized form of holo-enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2006-03-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 115.012, 170.756, 175.176 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.760 - 1.780 |
R-factor | 0.15 |
Rwork | 0.150 |
R-free | 0.15900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dd5 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.840 |
High resolution limit [Å] | 1.780 | 1.780 |
Total number of observations | 1677550 | |
Number of reflections | 319150 | |
<I/σ(I)> | 13.9 | |
Completeness [%] | 97.3 | 94.6 |
Redundancy | 5.3 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 1.5M Na/K Tartrate, 0.1M Potassium phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |