7L3M
PEPCK MMQX structure 40ms 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 | 44.389, 118.935, 60.300 |
| Unit cell angles | 90.00, 109.42, 90.00 |
Refinement procedure
| Resolution | 51.330 - 2.070 |
| R-factor | 0.1729 |
| Rwork | 0.172 |
| R-free | 0.18600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6p5o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.948 |
| Data reduction software | DIALS (1.14.5) |
| 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] | 59.470 | 59.470 | 2.120 |
| High resolution limit [Å] | 2.070 | 9.260 | 2.070 |
| Rmerge | 0.168 | 0.057 | 1.011 |
| Rmeas | 0.198 | 0.067 | 1.207 |
| Rpim | 0.103 | 0.034 | 0.647 |
| Total number of observations | 127837 | 1497 | 8878 |
| Number of reflections | 35893 | 424 | 2666 |
| <I/σ(I)> | 6.1 | 11.8 | 2.1 |
| Completeness [%] | 99.9 | 99.7 | 99.8 |
| Redundancy | 3.6 | 3.5 | 3.3 |
| CC(1/2) | 0.967 | 0.986 | 0.428 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 25mM MnCl2, 25mM GTP, 19% PEG 3350, 100mM HEPES |
