2PUQ
Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
Replaces: 2PMMExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-30 |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.312, 68.827, 78.732 |
| Unit cell angles | 90.00, 90.74, 90.00 |
Refinement procedure
| Resolution | 39.150 - 2.050 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dan |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.495 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.150 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.132 | 0.690 |
| Number of reflections | 52511 | |
| <I/σ(I)> | 8 | 2.26 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1 M sodium citrate, pH 5.6, 16.0 % (w/v) PEG 4000, 12 % (v/v) 1-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
