3TT1
Crystal Structure of LeuT in the outward-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) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 102.859, 162.761, 210.081 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.169 - 3.099 |
| R-factor | 0.2203 |
| Rwork | 0.219 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f3a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.944 |
| 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 | 3.210 |
| High resolution limit [Å] | 3.099 | 3.099 |
| Rmerge | 0.106 | 0.561 |
| Number of reflections | 57718 | |
| <I/σ(I)> | 11.9 | 1.92 |
| Completeness [%] | 89.1 | 92 |
| Redundancy | 7.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 40 mM Tris-HCl, 23-26% PEG550 MME, 50-100 mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
