5JAE
LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.570, 92.080, 92.470 |
Unit cell angles | 90.00, 95.18, 90.00 |
Refinement procedure
Resolution | 46.046 - 2.500 |
R-factor | 0.2234 |
Rwork | 0.223 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f3a |
RMSD bond length | 0.004 |
RMSD bond angle | 0.621 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((dev_2283: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 46789 | |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.1 | 98.5 |
Redundancy | 6.9 | 6.8 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 1 uL + 1uL drop with 500 uL reservoir solution: 100 mM Tris-MES pH 6.5, 75 mM K-Citrate, 24-28% w/w PEG550 MME and 10% (v/v) glycerol; protein buffer: 10 mM Tris-MES pH 6.0, 100 mM KCl, 10% (v/v) glycerol, 40 mM n-octyl-beta-D-glucoside |