3E2A
H. influenzae beta-carbonic anhydrase, variant Y181F with 100 mM bicarbonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-04-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 230.606, 145.512, 53.234 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 24.780 - 2.301 |
| R-factor | 0.205 |
| Rwork | 0.201 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.233 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.380 |
| High resolution limit [Å] | 2.301 | 2.301 |
| Rmerge | 0.065 | 0.343 |
| Number of reflections | 77406 | |
| <I/σ(I)> | 18.8 | 3.6 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.53 | 3.4 |
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, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
