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 |