1UGP
Crystal structure of Co-type nitrile hydratase complexed with n-butyric acid
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] | 100 |
Detector technology | CCD |
Collection date | 2002-04-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.978 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 65.564, 65.564, 184.994 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.540 - 1.630 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.544 | 1.720 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 57837 | |
Completeness [%] | 99.0 | 99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 278 | sodium citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K |