4RFD
Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium
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 | 42.454, 41.344, 72.127 |
| Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
| Resolution | 19.988 - 1.631 |
| R-factor | 0.1796 |
| Rwork | 0.178 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.294 |
| 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 | 2.210 | 1.690 |
| High resolution limit [Å] | 1.600 | 2.050 | 1.630 |
| Number of reflections | 30415 | ||
| Completeness [%] | 99.7 | 99.9 | 97.9 |
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) 6-(4-sulfamoyl-phenoxy)-hexyl-ammonium trifluoroacetate salt, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
