8E1U
Propionibacterium freudenreichii PPi-dependent PEPCK in complex with malate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-09-05 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 134.131, 146.952, 151.094 |
Unit cell angles | 82.70, 84.00, 70.80 |
Refinement procedure
Resolution | 74.770 - 2.650 |
R-factor | 0.1809 |
Rwork | 0.181 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6k31 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.491 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.800 | 2.750 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.118 | 0.757 |
Rmeas | 0.137 | 0.884 |
Rpim | 0.070 | 0.453 |
Number of reflections | 304269 | 29413 |
<I/σ(I)> | 10.4 | 2 |
Completeness [%] | 97.1 | 93.8 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.930 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM HEPES, pH 7.5, 200 mM magnesium chloride, 10% ethylene glycol, 7.5% isopropanol, 10-20% PEG2000 |