2Q6H
Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and clomipramine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.080, 86.360, 80.770 |
Unit cell angles | 90.00, 95.71, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.21800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2a65 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
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 | 0.056 | 0.518 |
Number of reflections | 45959 | |
<I/σ(I)> | 17 | 1.3 |
Completeness [%] | 89.3 | 51.8 |
Redundancy | 3.4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 17-22% PEGMME550, 200 mM NaCl, 100 mM HEPES-NaOH, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |