3UK8
The crystal structure of the cd-bound domain 3 of the cadmium carbonic anhydrase from marine diatom Thalassiosira weissflogii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-07 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.790, 62.690, 75.210 |
| Unit cell angles | 90.00, 120.44, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| Rwork | 0.182 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bob |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.069 | 0.195 |
| Number of reflections | 20621 | |
| <I/σ(I)> | 13.1 | 3.6 |
| Completeness [%] | 96.5 | 72 |
| Redundancy | 3 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 298 | 24% PEG 4000, 0.2M AMMOMIUM ACETATE, 0.1M TRI-SODIUM CITRATE, PH 5.3, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K, temperature 298.0K |
