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 |
