3OOQ
CRYSTAL STRUCTURE OF amidohydrolase from Thermotoga maritima MSB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.450, 148.300, 195.020 |
| Unit cell angles | 90.00, 105.31, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.060 |
| R-factor | 0.1695 |
| Rwork | 0.167 |
| R-free | 0.21300 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.100 |
| High resolution limit [Å] | 2.060 | 5.590 | 2.060 |
| Rmerge | 0.110 | 0.038 | 0.771 |
| Number of reflections | 495851 | ||
| <I/σ(I)> | 6.2 | ||
| Completeness [%] | 97.4 | 99.8 | 93 |
| Redundancy | 3.6 | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2 M Na-malonate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
