3D4U
Bovine thrombin-activatable fibrinolysis inhibitor (TAFIa) in complex with tick-derived carboxypeptidase inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.200, 84.200, 127.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.080 - 1.700 |
| R-factor | 0.15606 |
| Rwork | 0.156 |
| R-free | 0.17071 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zli |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.345 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.100 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.099 | 0.611 |
| Number of reflections | 57962 | |
| <I/σ(I)> | 20.6 | 9.2 |
| Completeness [%] | 93.3 | 95.5 |
| Redundancy | 15.1 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.2M (NH4)2SO4, 0.1M NaAcO, 10% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
