3D67
Crystal structure of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI) in complex with 2-guanidino-ethyl-mercaptosuccinic acid (GEMSA)
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 | 2007-10-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97320 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 161.050, 161.050, 138.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.090 - 3.400 |
| R-factor | 0.20043 |
| Rwork | 0.198 |
| R-free | 0.25218 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d66 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.485 |
| 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] | 49.270 | 3.580 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.091 | 0.630 |
| Number of reflections | 28900 | |
| <I/σ(I)> | 11.4 | 2.2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4.9 | 5 |
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, 1mM GEMSA, pH 6.0, VAPOR DIFFUSION, temperature 277K |
