3USG
Crystal structure of LeuT bound to L-leucine in space group C2 from lipid bicelles
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 | 2011-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.814, 90.859, 81.645 |
| Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
| Resolution | 36.674 - 2.502 |
| R-factor | 0.2136 |
| Rwork | 0.213 |
| R-free | 0.23120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.689 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.320 |
| Number of reflections | 29352 | |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 97.4 | 90.4 |
| Redundancy | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 100 mM NaAc, 30-35% MPD, 5-10%PEG, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
