3F48
Crystal structure of LeuT bound to L-alanine and sodium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.400, 87.200, 81.200 |
| Unit cell angles | 90.00, 95.90, 90.00 |
Refinement procedure
| Resolution | 47.680 - 1.900 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.522 |
| Number of reflections | 48834 | |
| <I/σ(I)> | 39.2 | 2.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.6 | 2.8 |
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 |
