5XAS
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 | 2016-05-12 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 51.705, 83.340, 81.060 |
Unit cell angles | 97.14, 100.16, 94.59 |
Refinement procedure
Resolution | 82.240 - 3.470 |
R-factor | 0.24823 |
Rwork | 0.246 |
R-free | 0.29503 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a1s |
RMSD bond length | 0.015 |
RMSD bond angle | 1.756 |
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] | 82.240 | 3.600 |
High resolution limit [Å] | 3.470 | 3.500 |
Number of reflections | 16295 | |
<I/σ(I)> | 14 | 1.5 |
Completeness [%] | 97.0 | 94.8 |
Redundancy | 1.9 | 1.8 |
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 |