6XNC
Salmonella typhimurium tryptophan synthase complexed with L-tryptophan and D-glycerol-3-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-04 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 182.289, 57.529, 67.266 |
Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
Resolution | 34.520 - 2.110 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2TYS.pdb |
RMSD bond length | 0.002 |
RMSD bond angle | 0.507 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.520 | 2.185 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.102 | 0.438 |
Rmeas | 0.122 | 0.575 |
Number of reflections | 37470 | 2186 |
<I/σ(I)> | 9.98 | 1.73 |
Completeness [%] | 92.2 | |
Redundancy | 3.2 | |
CC(1/2) | 0.995 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.05 M Bicine-Na, pH 7.8, 1 mM EDTA, 1 mM DTT, 0.1 mM PLP, 1 mM spermine tetrahydrochloride, 10-12% PEG 3350, 6-10% glycerol |