7L3V
PEPCK MMQX structure 120ms post-mixing with oxaloacetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.12 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.159, 118.787, 61.307 |
Unit cell angles | 90.00, 107.25, 90.00 |
Refinement procedure
Resolution | 41.670 - 1.980 |
R-factor | 0.1874 |
Rwork | 0.186 |
R-free | 0.20630 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7l36 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.185 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.080 | 44.080 | 2.030 |
High resolution limit [Å] | 1.980 | 8.850 | 1.980 |
Rmerge | 0.148 | 0.076 | 1.258 |
Rmeas | 0.176 | 0.089 | 1.506 |
Rpim | 0.093 | 0.045 | 0.816 |
Total number of observations | 156224 | 1850 | 11158 |
Number of reflections | 43818 | 510 | 3232 |
<I/σ(I)> | 5.4 | 11.7 | 1.4 |
Completeness [%] | 99.9 | 99.5 | 99.7 |
Redundancy | 3.6 | 3.6 | 3.5 |
CC(1/2) | 0.939 | 0.984 | 0.508 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 25mM MnCl2, 25mM GTP, 19% PEG 3350, 100mM HEPES |