8PX9
Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I23 |
Synchrotron site | Diamond |
Beamline | I23 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2017-05-05 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 2.7552 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.190, 109.320, 233.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.670 - 2.800 |
R-factor | 0.29406 |
Rwork | 0.292 |
R-free | 0.32974 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.547 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | HKL2Map |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.670 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.215 | |
Rmeas | 0.217 | |
Rpim | 0.030 | |
Number of reflections | 51873 | 5092 |
<I/σ(I)> | 12.48 | 0.27 |
Completeness [%] | 96.8 | |
Redundancy | 54.6 | |
CC(1/2) | 0.998 | 0.675 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% PEG 4000, 0.1 M ammonium sulphate, 100 mM HEPES pH 7.5 and 22% glycerol |