5XAR
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 | 2016-07-19 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.367, 163.994, 93.670 |
| Unit cell angles | 90.00, 93.50, 90.00 |
Refinement procedure
| Resolution | 93.490 - 3.620 |
| R-factor | 0.23614 |
| Rwork | 0.235 |
| R-free | 0.26734 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a1s |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.747 |
| 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] | 93.490 | 3.700 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Number of reflections | 30477 | |
| <I/σ(I)> | 22.7 | 1.3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.7 | 3.7 |
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 |
