3TT1
Crystal Structure of LeuT in the outward-open conformation in complex with Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 102.859, 162.761, 210.081 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.169 - 3.099 |
R-factor | 0.2203 |
Rwork | 0.219 |
R-free | 0.23960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f3a |
RMSD bond length | 0.008 |
RMSD bond angle | 0.944 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.210 |
High resolution limit [Å] | 3.099 | 3.099 |
Rmerge | 0.106 | 0.561 |
Number of reflections | 57718 | |
<I/σ(I)> | 11.9 | 1.92 |
Completeness [%] | 89.1 | 92 |
Redundancy | 7.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 40 mM Tris-HCl, 23-26% PEG550 MME, 50-100 mM sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |