3TK5
Factor Xa in complex with D102-4380
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-10 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.278, 71.928, 78.775 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.20813 |
| Rwork | 0.206 |
| R-free | 0.25348 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.239 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.720 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.081 | 0.325 |
| Number of reflections | 16727 | |
| <I/σ(I)> | 10.2 | 3.5 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 3.49 | 3.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
