6ST1
Taurine ABC transporter substrate binding protein TauA from E. coli in complex with 2-(N-Morpholino)ethanesulfonic acid (MES)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.220, 73.020, 163.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.970 - 1.550 |
Rwork | 0.193 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6stl |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.970 | 1.590 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.090 | 1.220 |
Number of reflections | 77044 | 5553 |
<I/σ(I)> | 8 | 1 |
Completeness [%] | 97.0 | |
Redundancy | 4.7 | |
CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.25 M sodium iodide, 0.1 M Bis-Tris propane, 24% (w/v) PEG 3350 + 10 mM MES |