2Q72
Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and imipramine
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 | 88.000, 86.640, 81.130 |
| Unit cell angles | 90.00, 95.76, 90.00 |
Refinement procedure
| Resolution | 27.430 - 1.700 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.21900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | 0.503 |
| Number of reflections | 65969 | |
| <I/σ(I)> | 17.6 | 1.93 |
| Completeness [%] | 95.9 | 73 |
| Redundancy | 3.5 | 2.5 |
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 |
