6B74
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 | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-09 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 41 |
| Unit cell lengths | 80.289, 80.289, 121.731 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.215 - 2.323 |
| R-factor | 0.1932 |
| Rwork | 0.190 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mfj |
| 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 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.084 | 0.849 |
| Number of reflections | 16576 | 1632 |
| <I/σ(I)> | 18.19 | 2.98 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 | 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 AmSO4 |
