1G5C
CRYSTAL STRUCTURE OF THE 'CAB' TYPE BETA CLASS CARBONIC ANHYDRASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2000-05-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.282, 1.2832, 1.0333 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.670, 113.210, 156.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.000 - 2.100 |
| Rwork | 0.211 |
| R-free | 0.24600 * |
| Structure solution method | MAD |
| RMSD bond length | 0.014 * |
| RMSD bond angle | 1.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.063 | 0.243 |
| Total number of observations | 208917 * | |
| Number of reflections | 57495 * | |
| <I/σ(I)> | 21 | 5.7 |
| Completeness [%] | 98.8 | 98.2 * |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 35% Ethanol, 12 % MPD, 50 mM Calcium Acetate, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 100 (mM) | |
| 3 | 1 | reservoir | ethanol | 35 (%) | |
| 4 | 1 | reservoir | MPD | 12 (%) | |
| 5 | 1 | reservoir | calcium acetate | 50 (mM) |
