2G00
Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-03-05 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.600, 72.400, 78.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.100 |
Rwork | 0.269 |
R-free | 0.28400 |
Structure solution method | MR |
RMSD bond length | 0.013 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.920 | 8.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.170 | 2.100 |
Rmerge | 0.085 | 0.058 | 0.348 |
Number of reflections | 18375 | 913 | 915 |
<I/σ(I)> | 4.8 | 2.5 | |
Completeness [%] | 96.7 | 98.3 | |
Redundancy | 4.1 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | ||||
1 |