2QEI
Crystal structure analysis of LeuT complexed with L-alanine, sodium, and clomipramine
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 | 2006-10-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.787, 86.027, 81.659 |
| Unit cell angles | 90.00, 95.98, 90.00 |
Refinement procedure
| Resolution | 44.650 - 1.850 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.21000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PDB ID 2Q6H |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.045 | 0.323 |
| Number of reflections | 52516 | |
| <I/σ(I)> | 34.6 | 2.3 |
| Completeness [%] | 90.6 | 54.2 |
| Redundancy | 6.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 17-22% PEG MME 550, 200 mM NaCl, 100 mM HEPES-NaOH, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
