3GWV
Leucine transporter LeuT in complex with R-fluoxetine
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 | 2007-10-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.813, 87.390, 81.154 |
Unit cell angles | 90.00, 95.67, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.350 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a65 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.008 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.500 | 50.000 | 2.430 |
High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
Rmerge | 0.064 | 0.031 | 0.212 |
Number of reflections | 23383 | ||
<I/σ(I)> | 15.564 | ||
Completeness [%] | 91.9 | 99.5 | 65.5 |
Redundancy | 3 | 3.7 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | PEG550 MME, NACL, pH 7, vapor diffusion, temperature 293K |