5FH5
The structure of rat cytosolic PEPCK variant E89Q in complex with phosphoglycolate and GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.176, 119.717, 60.897 |
| Unit cell angles | 90.00, 107.29, 90.00 |
Refinement procedure
| Resolution | 35.500 - 1.550 |
| R-factor | 0.2098 |
| Rwork | 0.208 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qey |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.775 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.065 | 0.042 | 0.411 |
| Total number of observations | 523429 | ||
| Number of reflections | 90078 | ||
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 98.3 | 98.6 | 96.4 |
| Redundancy | 5.8 | 5.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 25% PEG 3350, 0.1M HEPES PH 7.4, 8MM MNCL2, 10mM GDP |
