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 |