3TK6
factor Xa in complex with D46-5241
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-12-24 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.466, 72.412, 79.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.20482 |
Rwork | 0.203 |
R-free | 0.24114 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.547 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | REFMAC (body)) |
Refinement software | REFMAC (body)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.200 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.042 | 0.335 |
Number of reflections | 30533 | |
<I/σ(I)> | 15.7 | 3.1 |
Completeness [%] | 99.4 | 99 |
Redundancy | 3.11 | 2.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |