9E38
Polaromonas naphthalenivorans phosphoenolpyruvate carboxykinase in complex with phosphoglycolic acid and GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-01 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.419, 85.649, 113.634 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.400 - 1.520 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.20580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.895 |
| 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] | 68.400 | 1.580 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.128 | 2.920 |
| Rmeas | 0.133 | 3.036 |
| Rpim | 0.037 | 0.674 |
| Number of reflections | 101139 | 9818 |
| <I/σ(I)> | 6.76 | 0.22 |
| Completeness [%] | 98.9 | 98 |
| Redundancy | 12.7 | 13.1 |
| CC(1/2) | 0.998 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM TRIS-Cl pH 8.0, 0.4 M LiCl2, 5 mM MgCl2, 1 mM MnCl2, 30-40% PEG 8000, 10 mM PGA and 10 mM GDP. 15 mg/mL PnPEPCK |
