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 |