3D68
Crystal structure of a T325I/T329I/H333Y/H335Q mutant of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI-IIYQ)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97295 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 159.460, 159.460, 139.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.030 - 2.800 |
| R-factor | 0.18976 |
| Rwork | 0.188 |
| R-free | 0.23156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d66 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.871 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.030 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.067 | 0.600 |
| Number of reflections | 50644 | |
| <I/σ(I)> | 13.8 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 277 | 16-18% PEG 3000, 0.18-0.22mM Na/K-tartrate, 50mM L-glutamate, 50mM L-arginine, pH 6.0, VAPOR DIFFUSION, temperature 277K |
