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 |
