8DWZ
CA domain of VanSA histidine kinase, 7 keV data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.7712 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 69.830, 94.400, 29.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.140 - 2.210 |
R-factor | 0.1862 |
Rwork | 0.184 |
R-free | 0.23250 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.793 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.140 | 2.330 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.101 | 0.578 |
Rmeas | 0.104 | 0.616 |
Rpim | 0.023 | 0.206 |
Number of reflections | 17544 | 1807 |
<I/σ(I)> | 23.1 | |
Completeness [%] | 92.8 | |
Redundancy | 18.4 | |
CC(1/2) | 0.999 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.2 | 291 | VanSA CA domain protein was at a concentration of 2.5 mg/mL in 20 mM Tris pH 7.8, 150 mM NaCl, supplemented with 2.5 mM AMP-PNP and 5 mM MgCl2. Protein and precipitant were mixed in a volume ratio of 1:2 and incubated under Als Oil at 291 K; the precipitant solution contained 75 mM bis-tris propane, 25 mM citric acid, pH 8.2, 20 mM CdCl2, and 25% (w/v) PEG 400. |