7LQJ
Crystal structure of LeuT bound to L-Alanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.484, 86.866, 81.145 |
Unit cell angles | 90.00, 96.09, 90.00 |
Refinement procedure
Resolution | 43.992 - 2.144 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.19660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f3e |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.992 | 2.210 |
High resolution limit [Å] | 2.140 | 2.140 |
Number of reflections | 33365 | 2552 |
<I/σ(I)> | 14.9 | |
Completeness [%] | 99.4 | |
Redundancy | 7.1 | |
CC(1/2) | 0.990 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 100 mM Hepes/NaOH pH 7.0, 200 mM NaCl, 20-22% PEG 550 MME |