5XAT
Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-23 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 87.668, 91.874, 96.320 |
Unit cell angles | 86.10, 82.22, 69.66 |
Refinement procedure
Resolution | 95.410 - 3.760 |
R-factor | 0.26908 |
Rwork | 0.267 |
R-free | 0.29815 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a1s |
RMSD bond length | 0.010 |
RMSD bond angle | 1.503 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.410 | 3.900 |
High resolution limit [Å] | 3.760 | 3.800 |
Number of reflections | 26874 | |
<I/σ(I)> | 21.2 | |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM MES pH 6.0-6.5, 100-200 mM NaCl, 32-36% PEG400 |