6B77
Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-27 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | I 41 |
| Unit cell lengths | 79.402, 79.402, 122.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.350 - 2.370 |
| Rwork | 0.174 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mjg |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.470 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.079 | 0.867 |
| Number of reflections | 15282 | 1524 |
| <I/σ(I)> | 21.4 | 3.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 30 mM HEPES, 0.2 M NH4I, 0.2 M NH4S04 |
