3F4I
Crystal Structure of LeuT bound to L-selenomethionine and sodium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.777, 86.703, 81.692 |
Unit cell angles | 90.00, 95.85, 90.00 |
Refinement procedure
Resolution | 31.105 - 1.950 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a65 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.729 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.380 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.070 | 0.768 |
Number of reflections | 45123 | |
<I/σ(I)> | 28 | 2.6 |
Completeness [%] | 99.5 | 98.2 |
Redundancy | 7.4 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES, 0.2M NaCl, 17-22% PEG-MME 550, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |