7ZBF
Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 78.932, 78.932, 117.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.620 - 2.300 |
R-factor | 0.1999 |
Rwork | 0.197 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nda |
RMSD bond length | 0.007 |
RMSD bond angle | 1.445 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.620 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmeas | 0.096 | 0.624 |
Number of reflections | 19373 | 3085 |
<I/σ(I)> | 22.47 | 4.3 |
Completeness [%] | 99.7 | |
Redundancy | 14.96 | |
CC(1/2) | 0.999 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 25 % w/v Polyethylene glycol 3,350, 100 mM BIS-TRIS, 200 mM Sodium chloride |