8PKQ
Crystal structure of PknD-34, a repeat fragment from the M. tuberculosis PknD beta-propeller
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 61 |
Unit cell lengths | 95.351, 95.351, 69.829 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.160 - 1.700 |
R-factor | 0.1942 |
Rwork | 0.193 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.185 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.680 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.098 | 0.858 |
Rmeas | 0.102 | 0.882 |
Rpim | 0.025 | 0.203 |
Total number of observations | 613855 | 39709 |
Number of reflections | 36012 | 2105 |
<I/σ(I)> | 19.5 | 4.8 |
Completeness [%] | 90.5 | |
Redundancy | 17 | 18.9 |
CC(1/2) | 0.999 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 0.2 M Lithium sulfate, 0.1 M Tris pH 8.5, 25% (w/v) PEG 3350 |