8QJD
T6SS-linked Rhs repeat protein - Salmonella bongori Rhs-core domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 99.071, 118.260, 131.757 |
Unit cell angles | 90.00, 105.52, 90.00 |
Refinement procedure
Resolution | 49.170 - 2.203 |
R-factor | 0.1837 |
Rwork | 0.182 |
R-free | 0.21100 |
Structure solution method | SIRAS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.666 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | BUCCANEER |
Refinement software | PHENIX (1.20.1_4487+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.170 | 2.281 |
High resolution limit [Å] | 2.203 | 2.203 |
Rmerge | 0.080 | 0.855 |
Rmeas | 0.087 | 0.929 |
Rpim | 0.033 | |
Number of reflections | 147230 | 14230 |
<I/σ(I)> | 17.62 | 2.32 |
Completeness [%] | 99.6 | 97.11 |
Redundancy | 6.84 | |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292.15 | Protein was diluted to 3 mg/ml using MonoQ buffer A and 1 ul was mixed with 2 ul of reservoir solution (0.1 M MES pH 7, 20% PEE 270, 3.67% acetone) in a hanging drop vapor diffusion experiment at 19 deg C to obtain the crystals for the native dataset used for SIRAS phasing and for refinement. Before the diffraction experiment, crystals were cryoprotected by soaking in a solution consisting of 0.1M MES pH7 and 35% PEE270. For the Hg(II) derivative dataset used in SIRAS phasing, the crystal was grown in a similar fashion but using a reservoir solution comprising 0.1 M HEPES pH 7, 20% PEE 270. Derivatisation was performed by soaking the crystal for a couple of minutes in reservoir solution supplemented with 12.5 mM thimerosal. Crystals were back soaked and cryoprotected in mother liquor with an increased PEE 270 concentration (35%). |