3IIT
Factor XA in complex with a cis-1,2-diaminocyclohexane derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-06-01 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.055, 72.179, 79.238 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.20315 |
| Rwork | 0.202 |
| R-free | 0.23262 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fax |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.538 |
| Data reduction software | PROCESS |
| Data scaling software | PROCESS |
| Phasing software | REFMAC (5.5.0066) |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.240 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.266 |
| Number of reflections | 28857 | |
| <I/σ(I)> | 2.26 | |
| Completeness [%] | 94.5 | 78.3 |
| Redundancy | 2.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | pH 5.00, VAPOR DIFFUSION, temperature 293K |
