4M2W
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-06-08 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.609, 41.796, 72.900 |
Unit cell angles | 90.00, 104.01, 90.00 |
Refinement procedure
Resolution | 18.961 - 1.658 |
R-factor | 0.1314 |
Rwork | 0.130 |
R-free | 0.15240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.337 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.720 |
High resolution limit [Å] | 1.658 | 1.660 |
Number of reflections | 27938 | |
Completeness [%] | 94.1 | 90.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Drops were prepared by mixing 7 uL of the final concentrated protein (~10 mg/mL) and 3 uL of precipitant solution against 1 mL of precipitant solution. The precipitant solution conditions varied, and consisted of 50 mM Tris-HCl (pH 7.5) and 1.6 M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |