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 |
