3BOB
Carbonic anhydrase from marine diatom Thalassiosira weissflogii- cadmium bound domain 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.283, 78.202, 37.054 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.830 - 1.450 |
R-factor | 0.167 |
Rwork | 0.167 |
R-free | 0.19400 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 35966 | |
Completeness [%] | 95.4 | 92.5 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1 M sodium citrate, 20% (w/v) PEG3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |