3E2W
H. influenzae beta-carbonic anhydrase, variant Y181F with 1M bicarbonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-04-21 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 250.141, 145.225, 53.499 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 26.200 - 2.296 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8d |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.316 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.200 | 2.380 |
| High resolution limit [Å] | 2.296 | 2.296 |
| Rmerge | 0.061 | 0.370 |
| Number of reflections | 77677 | |
| <I/σ(I)> | 13.78 | 2.73 |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M Hepes, 1.5 M ammonium sulfate, 4% PEG 4000, crystals soaked in this solution plus 30% glycerol and 1 M sodium bicarbonate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
