2FDA
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-06-16 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 121.318, 121.318, 121.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.600 - 2.000 |
| Rwork | 0.186 |
| R-free | 0.21300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1zhr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX (2005) |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.600 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.063 | 0.335 |
| Number of reflections | 20224 | |
| <I/σ(I)> | 29.8 | 5.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 283 | 2.0 M AMMONIUM SULFATE, 0.1 M TRIS-HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
