7ATR
The Crystal Structure of YejA - an ABC Peptide Transporter Receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 91.440, 105.267, 145.387 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.264 - 1.550 |
Rwork | 0.170 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ony |
RMSD bond length | 0.013 |
RMSD bond angle | 1.827 |
Data reduction software | Aimless (0.7.4) |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP (11.7.02) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.264 | 85.260 | 1.580 |
High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
Rmerge | 0.070 | 0.034 | 0.668 |
Rmeas | 0.080 | 0.039 | 0.756 |
Rpim | 0.038 | 0.018 | 0.353 |
Number of reflections | 101011 | 702 | 4874 |
<I/σ(I)> | 14.1 | 36.9 | 2.4 |
Completeness [%] | 99.6 | ||
Redundancy | 8.4 | 7.8 | 8.5 |
CC(1/2) | 0.997 | 0.956 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Protein: 20 mg.ml-1 in 20 mM Tris-HCl, 50 mM NaCl, pH 8.0 Reservoir solution: 2% w/v polyethylene glycol 20,000, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5 Drops: 300 nl (150 nl protein solution + 150 nl reservoir solution) Reservoir: 100 microlitres |