3USO
Crystal structure of LeuT bound to L-selenomethionine in space group P21212 from lipid bicelles
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9700 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 116.830, 182.697, 81.816 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.529 - 4.500 |
| R-factor | 0.2401 |
| Rwork | 0.240 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.527 |
| 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 | 4.660 |
| High resolution limit [Å] | 4.500 | 4.500 |
| Rmerge | 0.090 | 0.260 |
| Number of reflections | 10449 | |
| <I/σ(I)> | 18.4 | 6.2 |
| Completeness [%] | 94.6 | 83.9 |
| Redundancy | 9.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 100 mM NaAc, 32% MPD, 8.5% PEG400, 50 mM MgCl2, 100 mM Urea, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
