7SH3
Crystal Structure of a VirB8-like Protein of Type IV Secretion System from Rickettsia typhi in Complex with a Synthetic VirB8 Miniprotein Binder
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-04-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9787 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 57.260, 71.480, 155.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.690 - 3.000 |
R-factor | 0.2453 |
Rwork | 0.238 |
R-free | 0.30610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o3v |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev-4274) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.690 | 44.690 | 3.080 |
High resolution limit [Å] | 3.000 | 13.420 | 3.000 |
Rmerge | 0.074 | 0.024 | 0.677 |
Rmeas | 0.082 | 0.028 | 0.740 |
Total number of observations | 39344 | ||
Number of reflections | 6672 | 91 | 483 |
<I/σ(I)> | 13.47 | 36.89 | 2.52 |
Completeness [%] | 99.8 | 92.9 | 99.8 |
Redundancy | 5.897 | 4.571 | 6.095 |
CC(1/2) | 0.999 | 0.999 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 287 | RityA.18390.a.B2 + SycoA.20508.e.PG1 [Barcode: 320527g9, PuckID: oce7-3, Cryo: 15% EG, Concentration: 9.9 mg/mL] 100mM Sodium acetate/Hydrochloric acid pH 4.6, 25% (w/v) PEG 4000, 200mM Ammonium sulfate |