2D1J
Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-04-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.078, 73.122, 79.949 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.18799 |
| Rwork | 0.186 |
| R-free | 0.23219 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 1fax |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.953 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.250 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.055 | 0.305 |
| Number of reflections | 17081 | |
| <I/σ(I)> | 14.6 | 4.2 |
| Completeness [%] | 97.3 | 95.8 |
| Redundancy | 3.57 | 3.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SEEDING | 5 | 293 | pH 5.00, VAPOR DIFFUSION, SEEDING, temperature 293K |
