3MF3
Cobalt(II)-Substituted Haemophilus influenzae B-Carbonic Anhydrase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-21 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.95 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 229.492, 144.929, 52.215 |
| Unit cell angles | 90.00, 93.77, 90.00 |
Refinement procedure
| Resolution | 29.870 - 2.500 |
| R-factor | 0.17584 |
| Rwork | 0.173 |
| R-free | 0.22805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8c |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.691 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 122.463 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.103 | 0.421 |
| Number of reflections | 58139 | |
| <I/σ(I)> | 10.7 | 1.6 |
| Completeness [%] | 99.0 | 98.7 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M sodium acetate, 0.1 M Tris-Cl, 0.1 M ammonium sulfate, 27% PEG 4,000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
