9EJ6
Rat cytosolic PEPCK in complex with GTP and beta-sulfopyruvate (313K)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 313 |
| 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 | 44.903, 120.204, 60.984 |
| Unit cell angles | 90.00, 111.49, 90.00 |
Refinement procedure
| Resolution | 60.100 - 2.400 |
| R-factor | 0.2006 |
| Rwork | 0.199 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.506 |
| 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] | 120.130 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.143 | 0.903 |
| Rmeas | 1.670 | 1.093 |
| Rpim | 0.089 | 0.609 |
| Number of reflections | 23400 | 1201 |
| <I/σ(I)> | 4 | 0.8 |
| Completeness [%] | 99.9 | 99.92 |
| Redundancy | 3.42 | 3.06 |
| CC(1/2) | 0.985 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 313 | 0.1 M HEPES pH 7.5, 0.5 uL of 100 mM MnCl2, 10 mM GTP, and 18-28% PEG 3350 |
