7QIH
Complex of the Yersinia enterocolitica Type III secretion proteins YscX and YscY
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 | 2019-11-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 41.553, 140.833, 59.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.620 - 1.920 |
R-factor | 0.2226 |
Rwork | 0.221 |
R-free | 0.26240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold2 model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.389 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.620 | 2.030 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmeas | 0.102 | 2.941 |
Number of reflections | 27713 | 4312 |
<I/σ(I)> | 16.4 | 0.78 |
Completeness [%] | 99.7 | 98 |
Redundancy | 12.78 | 11.29 |
CC(1/2) | 1.000 | 0.446 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | Protein Concentration: 3-5 mg/mL; Protein Buffer: 20 mM Tris pH 8.0, 150 mM NaCl, 5 mM TCEP; Reservoir Solution: 0.1 M BisTris pH 6.0, 0.2 M MgCl2, 13-21 % PEG 3350; Drop Ratio: 0.33 uL Reservoir + 0.66 uL Protein |