3TT3
Crystal Structure of LeuT in the inward-open conformation in complex with Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 128.838, 169.804, 130.417 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.576 - 3.220 |
| R-factor | 0.2594 |
| Rwork | 0.257 |
| R-free | 0.30020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 2A65 1Q9Q 1ejo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.149 |
| 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] | 50.000 | 3.350 |
| High resolution limit [Å] | 3.220 | 3.220 |
| Rmerge | 0.070 | 0.690 |
| Number of reflections | 23381 | |
| <I/σ(I)> | 17.78 | 2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 100 mM HEPES, 0.1 M magnesium nitrate, 12-14% PEG1500, 1.5% w/v trimethylamine-N-oxide, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
