3HKU
Human carbonic anhydrase II in complex with topiramate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-12-05 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.264, 41.426, 72.440 |
Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
Resolution | 70.190 - 1.800 |
R-factor | 0.15488 |
Rwork | 0.152 |
R-free | 0.19801 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.368 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.200 | 1.848 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.033 | 0.058 |
Number of reflections | 21463 | |
Completeness [%] | 99.6 | 96.1 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 289 | 2.6M (NH4)2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |