4K0S
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-01-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.124, 41.463, 72.669 |
| Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
| Resolution | 29.115 - 1.802 |
| R-factor | 0.1698 |
| Rwork | 0.167 |
| R-free | 0.21340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ili |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.163 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.510 |
| Number of reflections | 20174 | |
| <I/σ(I)> | 12.2 | 1.98 |
| Completeness [%] | 88.7 | 85.9 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.7 M sodium citrate, 50 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
