3F4I
Crystal Structure of LeuT bound to L-selenomethionine and sodium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.777, 86.703, 81.692 |
| Unit cell angles | 90.00, 95.85, 90.00 |
Refinement procedure
| Resolution | 31.105 - 1.950 |
| R-factor | 0.1936 |
| Rwork | 0.192 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.729 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.380 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.070 | 0.768 |
| Number of reflections | 45123 | |
| <I/σ(I)> | 28 | 2.6 |
| Completeness [%] | 99.5 | 98.2 |
| Redundancy | 7.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES, 0.2M NaCl, 17-22% PEG-MME 550, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
