2QB4
Crystal Structure Analysis of LeuT complexed with L-leucine, sodium and desipramine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.290, 86.770, 81.250 |
Unit cell angles | 90.00, 96.02, 90.00 |
Refinement procedure
Resolution | 27.730 - 1.900 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.21700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2a65 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.059 | 0.571 |
Number of reflections | 45802 | |
<I/σ(I)> | 19.54 | 1.49 |
Completeness [%] | 94.7 | 74.7 |
Redundancy | 3.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 17-22% PEGMME 550, 200 mM NaCl, 100 mM HEPES-NaOH, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |