3Q3K
Factor Xa in complex with a phenylenediamine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6B |
| Synchrotron site | Photon Factory |
| Beamline | BL-6B |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1999-06-24 |
| Detector | WEISSENBERG |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.073, 73.202, 79.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.19915 |
| Rwork | 0.198 |
| R-free | 0.21628 |
| Structure solution method | rigid body refinement |
| Starting model (for MR) | 3iit |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.227 |
| Data reduction software | PROCESS |
| Data scaling software | PROCESS |
| Phasing software | REFMAC (5.5.0102) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.500 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.047 | 0.295 |
| Number of reflections | 19561 | |
| <I/σ(I)> | 23.8 | 3.09 |
| Completeness [%] | 83.8 | 63.6 |
| Redundancy | 4.88 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | macro-seeding, soak at pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
