3BOH
Carbonic anhydrase from marine diatom Thalassiosira weissflogii- cadmium bound domain 1 with acetate (CDCA1-R1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-07-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.390, 43.540, 76.770 |
| Unit cell angles | 90.00, 92.40, 90.00 |
Refinement procedure
| Resolution | 49.540 - 1.700 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bob |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 45864 | |
| Completeness [%] | 90.3 | 68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 1.2 M NaH2PO4, 1.4 M K2HPO4, 0.1 M sodium acetate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
