4E5Q
Human Carbonic Anhydrase II in complex with cyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-04-18 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.192, 41.010, 71.536 |
| Unit cell angles | 90.00, 104.51, 90.00 |
Refinement procedure
| Resolution | 19.909 - 1.702 |
| R-factor | 0.1742 |
| Rwork | 0.172 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ili |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.304 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.088 | 0.077 | 0.549 |
| Number of reflections | 23826 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 90.9 | 93.6 | 89.2 |
| Redundancy | 6.8 | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6 M sodium citrate, 50 mM TRIS Chloride, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
