9EIW
Rat cytosolic PEPCK in complex with GDP and phosphoglycolic acid (273K)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 273 |
| Detector technology | PIXEL |
| Collection date | 2023-01-01 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.128, 120.194, 60.551 |
| Unit cell angles | 90.00, 111.39, 90.00 |
Refinement procedure
| Resolution | 56.380 - 2.200 |
| R-factor | 0.2033 |
| Rwork | 0.200 |
| R-free | 0.26350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.518 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 120.280 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.133 | 1.965 |
| Rmeas | 0.144 | 2.137 |
| Rpim | 0.055 | 0.833 |
| Number of reflections | 30501 | 1539 |
| <I/σ(I)> | 6 | 0.4 |
| Completeness [%] | 99.9 | 99.74 |
| Redundancy | 6.73 | 6.49 |
| CC(1/2) | 0.997 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 0.5 uL of 100 mM MnCl2, 100 mM GDP, and 18-28% PEG 3350 |
