4N7X
The E254A mutant of the sodium bile acid symporter from Yersinia frederiksenii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.99991 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.162, 73.859, 85.527 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.758 - 2.500 |
R-factor | 0.2113 |
Rwork | 0.209 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.790 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.085 | 0.032 | 0.416 |
Number of reflections | 12188 | ||
<I/σ(I)> | 6.8 | ||
Completeness [%] | 98.0 | 99.9 | 80.5 |
Redundancy | 13 | 12.8 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Lipid Cubic Phase | 8.5 | 298 | 39% PEG 400, 100 mM Tris-HCL, 100 mM KCl, 20 mM MnCl2, 1-oleoyl-rac-glycerol, pH 8.5, Lipid Cubic Phase, temperature 298K |