3R16
Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-01-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.426, 41.388, 72.019 |
| Unit cell angles | 90.00, 104.13, 90.00 |
Refinement procedure
| Resolution | 25.404 - 1.600 |
| R-factor | 0.1517 |
| Rwork | 0.151 |
| R-free | 0.17310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.131 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.069 |
| Number of reflections | 29653 | |
| <I/σ(I)> | 20.78 | 4.9 |
| Completeness [%] | 93.4 | 87.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 1.6M sodium citrate, tris buffer, pH 7.8, VAPOR DIFFUSION, HANGING DROP |
