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 |