3QS6
Crystal structure of LeuT mutant F259V,I359Q bound to sodium and L-tryptophan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.793, 87.127, 82.169 |
Unit cell angles | 90.00, 94.73, 90.00 |
Refinement procedure
Resolution | 33.487 - 2.801 |
R-factor | 0.2018 |
Rwork | 0.200 |
R-free | 0.23680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a65 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.563 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 2010_04_18_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 15756 | |
<I/σ(I)> | 15.3 | 1.5 |
Completeness [%] | 98.3 | 98.6 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES, 0.2M NaCl, 20% PEG-MME 550, 0.05M L-tryptophan, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |