2EI7
FACTOR XA IN COMPLEX WITH THE INHIBITOR trans-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-10-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.963, 73.035, 79.849 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.21163 |
| Rwork | 0.209 |
| R-free | 0.27271 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 1fax |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.000 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.210 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.067 | 0.305 |
| Number of reflections | 15202 | |
| <I/σ(I)> | 10.4 | 4.2 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 3.38 | 3.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | vapor diffusion, hanging drop, seeding | 5 | 293 | compound introduced with soaking method at pH 7, pH 5.00, vapor diffusion, hanging drop, seeding, temperature 293K |
