8GTK
Crystal structure of IpaH7.8-LRR and GSDMB isoform-1 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 102.732, 102.732, 121.316 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.300 - 3.100 |
R-factor | 0.2681 |
Rwork | 0.266 |
R-free | 0.28960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8gtj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.308 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.300 | 3.310 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.063 | 1.046 |
Rmeas | 0.065 | |
Rpim | 0.017 | 0.384 |
Number of reflections | 13871 | 2483 |
<I/σ(I)> | 22.9 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 14.6 | 15.2 |
CC(1/2) | 0.999 | 0.934 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.1M Lithium sulfate, 0.1 M Sodium Acetate pH 4.6, 0.6 M Ammonium phosphate monobasic |