9EJ3
Rat cytosolic PEPCK in complex with GTP and beta-sulfopyruvate (253K)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 253 |
| 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 | 44.851, 119.770, 60.546 |
| Unit cell angles | 90.00, 111.12, 90.00 |
Refinement procedure
| Resolution | 59.880 - 1.850 |
| R-factor | 0.1719 |
| Rwork | 0.170 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| 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] | 119.550 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.175 | 1.574 |
| Rmeas | 0.190 | 1.703 |
| Rpim | 0.073 | 0.647 |
| Number of reflections | 49496 | 2430 |
| <I/σ(I)> | 7 | 0.8 |
| Completeness [%] | 98.6 | 97.59 |
| Redundancy | 6.81 | 6.84 |
| CC(1/2) | 0.987 | 0.626 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES-OH, 10 mM GTP, 100 mM MnCl2, 18-28% PEG 3350, 10 mg/mL rcPEPCK. |
