1J6P
Crystal structure of Metal-dependent hydrolase of cytosinedemaniase/chlorohydrolase family (TM0936) from Thermotoga maritima at 1.9 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.978932, 0.979224, 0.918370 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 113.782, 113.782, 81.305 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.610 - 1.900 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| R-free | 0.20200 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.790 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SnB |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.613 | 2.310 |
| High resolution limit [Å] | 1.910 | 2.250 |
| Number of reflections | 47228 | |
| <I/σ(I)> | 13.3 | 3.8 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 293 | 10 % PEG 8000, 0.2 M NaCl, 0.1 M CHES pH 9.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K, pH 9.50 |
