2BQW
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-06-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.380, 71.900, 78.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 200.000 - 2.950 |
| Rwork | 0.184 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lpg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.584 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNX |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 3.000 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.100 | 0.310 |
| Number of reflections | 6939 | |
| <I/σ(I)> | 13.7 | 5.4 |
| Completeness [%] | 97.4 | 97.6 |
| Redundancy | 4.8 | 4.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 298 | PEG600, MES, CACL2, PH 5.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0 K |
