4RFC
Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-09-06 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.435, 41.312, 71.693 |
| Unit cell angles | 90.00, 104.05, 90.00 |
Refinement procedure
| Resolution | 19.801 - 1.645 |
| R-factor | 0.2255 |
| Rwork | 0.224 |
| R-free | 0.26030 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.059 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.440 | 1.860 |
| High resolution limit [Å] | 1.600 | 2.270 | 1.800 |
| Number of reflections | 24737 | ||
| Completeness [%] | 98.8 | 99.8 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 50 mM Tris-HCL pH 7.8, 0.24 mM (final concentration) tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate, Vapor diffusion, hanging drop, temperature 298K |
