7DIX
Crystal structure of LeuT in lipidic cubic phase at pH 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.162, 115.070, 80.819 |
Unit cell angles | 90.00, 102.89, 90.00 |
Refinement procedure
Resolution | 41.660 - 3.490 |
R-factor | 0.2226 |
Rwork | 0.221 |
R-free | 0.25020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2A65 and 3TT1 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.463 | 46.463 | 3.550 |
High resolution limit [Å] | 3.490 | 9.447 | 3.490 |
Rmerge | 0.150 | 0.029 | 0.647 |
Rmeas | 0.180 | 0.035 | 0.777 |
Rpim | 0.100 | 0.020 | 0.426 |
Total number of observations | 48779 | 2409 | 2475 |
Number of reflections | 16453 | 817 | 817 |
<I/σ(I)> | 7.3 | 22 | 2 |
Completeness [%] | 97.2 | 93.3 | 98.6 |
Redundancy | 3 | 2.9 | 3 |
CC(1/2) | 0.992 | 0.999 | 0.763 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5 | 293.15 | 0.1 M NaCl, 0.1 M Na+-HEPES pH 7.0, 32% (v/v) PEG 350 MME, 10 mM TCEP-HCl unbuffered and 1 mM L-SeMet (the final solution at pH ~5.0) |