6EXS
Crystal structure of a POT family transporter in complex with thioalcohol conjugated peptide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-28 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.872899 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.040, 55.576, 100.866 |
Unit cell angles | 90.00, 104.75, 90.00 |
Refinement procedure
Resolution | 48.290 - 2.500 |
R-factor | 0.212 |
Rwork | 0.211 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d2b |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.290 | 48.290 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.194 | 0.038 | 2.058 |
Rmeas | 0.211 | 0.041 | 2.230 |
Rpim | 0.080 | 0.016 | 0.851 |
Number of reflections | 25401 | 522 | 2623 |
<I/σ(I)> | 8 | ||
Completeness [%] | 99.9 | 99.5 | 99.8 |
Redundancy | 6.7 | 6.6 | 6.6 |
CC(1/2) | 0.997 | 0.999 | 0.412 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5 | 293 | 26-27% (v/v) PEG 200, 220 mM (NH4)2HPO4, and 110 mM sodium citrate (pH 5.0). Ligand: 5mM CG-3M3SH |