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 |