1XXF
Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 116 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.512, 90.061, 189.133 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.750 - 2.600 |
| Rwork | 0.225 |
| R-free | 0.28400 |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | 1xx9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX (2002) |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.094 | 0.417 |
| Number of reflections | 22056 | |
| <I/σ(I)> | 15.9 | 4.1 |
| Completeness [%] | 90.9 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | PEG-MME 2000, Ammonium Sulfate, Sodium Cacodylate, methanol, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
