4HBA
Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-04-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.284, 41.156, 71.610 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 19.914 - 1.762 |
| R-factor | 0.152 |
| Rwork | 0.150 |
| R-free | 0.18910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.304 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (1.8_1069) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.479 | |
| Number of reflections | 23307 | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 98.2 | 98.9 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 1.3M sodium citrate, 50mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP |
