3E3G
H. influenzae beta-carbonic anhydrase, variant G41A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.974 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 231.925, 145.231, 52.972 |
| Unit cell angles | 90.00, 93.82, 90.00 |
Refinement procedure
| Resolution | 39.406 - 2.300 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.161 |
| 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] | 39.406 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.088 | 0.516 |
| Total number of observations | 45879 | |
| Number of reflections | 76059 | |
| <I/σ(I)> | 19.1 | 2 |
| Completeness [%] | 98.1 | 88.2 |
| Redundancy | 6.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M HEPES, 1.8 M ammonium sulfate, 4% PEG 400, 12 mg/mL protein, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
