3F3C
Crystal structure of LeuT bound to 4-Fluoro-L-Phenylalanine 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 | 2008-01-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.120, 86.322, 81.579 |
| Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
| Resolution | 47.950 - 2.100 |
| R-factor | 0.19772 |
| Rwork | 0.196 |
| R-free | 0.23744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.989 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.300 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.078 | 0.527 |
| Number of reflections | 33636 | |
| <I/σ(I)> | 15.9 | 1.7 |
| Completeness [%] | 92.3 | 64.3 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES, 0.4M NaCl, 24-26% PEG-MME 550, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
