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 |
