3F3A
Crystal Structure of LeuT bound to L-Tryptophan 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 | 2007-07-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.566, 85.218, 82.274 |
| Unit cell angles | 90.00, 93.33, 90.00 |
Refinement procedure
| Resolution | 48.232 - 2.000 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.049 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.053 | 0.577 |
| Number of reflections | 41152 | |
| <I/σ(I)> | 11.1 | 1.1 |
| Completeness [%] | 97.4 | 90.4 |
| Redundancy | 2.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES, 0.4M NaCl, 17-22% PEG-MME 550, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
