5FH3
The structure of rat cytosolic PEPCK variant E89A in complex with oxalic acid and GTP
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 | 45.699, 119.313, 60.821 |
| Unit cell angles | 90.00, 107.95, 90.00 |
Refinement procedure
| Resolution | 59.660 - 1.600 |
| R-factor | 0.2068 |
| Rwork | 0.205 |
| R-free | 0.24280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dt4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.436 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.069 | 0.045 | 0.308 |
| Total number of observations | 471450 | ||
| Number of reflections | 80122 | ||
| <I/σ(I)> | 16.2 | ||
| Completeness [%] | 98.7 | 99.7 | 91.5 |
| Redundancy | 5.9 | 6 | 5.2 |
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 GTP |
