9EJ5
Rat cytosolic PEPCK in complex with GTP and beta-sulfopyruvate (293K)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 293 |
| 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 | 44.818, 119.735, 60.552 |
| Unit cell angles | 90.00, 111.39, 90.00 |
Refinement procedure
| Resolution | 51.010 - 1.940 |
| R-factor | 0.1703 |
| Rwork | 0.169 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.884 |
| 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] | 120.460 | 1.980 |
| High resolution limit [Å] | 1.940 | 1.950 |
| Rmerge | 0.155 | 1.592 |
| Rmeas | 0.167 | |
| Rpim | 0.063 | 1.716 |
| Number of reflections | 43355 | 2140 |
| <I/σ(I)> | 3.4 | 0.4 |
| Completeness [%] | 98.5 | 97.27 |
| Redundancy | 6.97 | 7.16 |
| CC(1/2) | 0.991 | 0.618 |
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, 10 mM GTP, and 18-28% PEG 3350 |
