3ADR
The first crystal structure of an archaeal metallo-beta-lactamase superfamily protein; ST1585 from Sulfolobus tokodaii
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2007-07-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9794, 0.9791, 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.970, 45.230, 110.890 |
| Unit cell angles | 90.00, 131.64, 90.00 |
Refinement procedure
| Resolution | 19.990 - 1.800 |
| Rwork | 0.199 |
| R-free | 0.21600 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.13) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.101 | 0.272 |
| Number of reflections | 56293 | |
| <I/σ(I)> | 28.9 | |
| Completeness [%] | 98.6 | 87.5 |
| Redundancy | 7.2 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.1M HEPES, 10% PEG 8000, 8% ethylene glycol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
