3R17
hCarbonic anhydrase II bound to N-(2-fluoro.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 | 2011-01-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.378, 41.261, 71.943 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 23.251 - 1.700 |
| R-factor | 0.1533 |
| Rwork | 0.151 |
| R-free | 0.19380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.068 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.133 | |
| Number of reflections | 23584 | |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 88.9 | 86.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.6M Sodium Citrate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
