6L63
Human Coagulation Factor XIIa (FXIIa) bound with the macrocyclic peptide F3 containing two (1S,2S)-2-ACHC residues
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 68.260, 105.520, 123.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.963 - 3.000 |
R-factor | 0.262 |
Rwork | 0.258 |
R-free | 0.30240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b77 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3546) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.963 | 3.106 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 18309 | 1809 |
<I/σ(I)> | 6.23 | |
Completeness [%] | 98.9 | |
Redundancy | 44.5 | |
CC(1/2) | 0.966 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 283 | 100 mM Bis-Tris pH 6.0~6.5, 24~26% PEG3350, and 200 mM NaCl or 200 mM ammonium acetate |