3LAS
Crystal structure of carbonic anhydrase from streptococcus mutans to 1.4 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 80.949, 80.949, 128.949 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.1557 |
| Rwork | 0.154 |
| R-free | 0.17959 |
| Structure solution method | SAD |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.398 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 61732 | |
| Completeness [%] | 99.6 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 30% PEG MME 2000, 0.1M NaCaD pH6.0, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
