3QS5
Crystal structure of LeuT mutant I359Q bound to sodium and L-tryptophan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.928, 87.090, 81.867 |
| Unit cell angles | 90.00, 94.75, 90.00 |
Refinement procedure
| Resolution | 31.396 - 2.600 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.656 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 2010_04_18_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 19270 | |
| <I/σ(I)> | 12.2 | 1.84 |
| Completeness [%] | 97.8 | 98.1 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES, 0.2M NaCl, 20% PEG-MME 550, 0.05M L-tryptophan, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
