3ELA
Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.361, 68.558, 78.817 |
| Unit cell angles | 90.00, 90.22, 90.00 |
Refinement procedure
| Resolution | 29.190 - 2.200 |
| R-factor | 0.23568 |
| Rwork | 0.233 |
| R-free | 0.29430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dan |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.170 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.190 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.096 | 0.229 |
| Number of reflections | 34658 | |
| <I/σ(I)> | 2.12 | |
| Completeness [%] | 80.3 | 26.1 |
| Redundancy | 1.8 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 100mM NaCitrate, 16%(w/v) PEG4000, 12%(v/v) 1-propanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
