3G49
N-(Pyridin-2-yl) Arylsulfonamide Inhibitors of 11b-Hydroxysteroid Dehydrogenase Type 1: Discovery of PF-915275
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-07 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.207, 83.599, 179.202 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.270 - 2.500 |
R-factor | 0.19087 |
Rwork | 0.189 |
R-free | 0.22518 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.037 |
RMSD bond angle | 2.930 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.500 |
Number of reflections | 38125 |
Completeness [%] | 91.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |