2P93
Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-04 |
Detector | RIGAKU SATURN 92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.810, 72.410, 79.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.750 - 1.900 |
R-factor | 0.254 |
Rwork | 0.251 |
R-free | 0.30700 |
Structure solution method | MR |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.840 | 1.910 |
Rmerge | 0.062 | 0.361 |
Number of reflections | 27929 | |
<I/σ(I)> | 28.1 | 4.3 |
Completeness [%] | 97.0 | 97.7 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 200 mM Sodium Acetate, pH 5.5, 18% PEG6000, vapor diffusion, hanging drop, temperature 277K |