3MOE
The structure of rat cytosolic PEPCK mutant A467G in complex with Beta-Sulfopyruvate and GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-09 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.324, 119.117, 60.053 |
| Unit cell angles | 90.00, 111.19, 90.00 |
Refinement procedure
| Resolution | 20.570 - 1.250 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.577 |
| Data reduction software | DENZO |
| 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 | 1.290 |
| High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
| Rmerge | 0.056 | 0.035 | 0.534 |
| Number of reflections | 152044 | ||
| <I/σ(I)> | 14.7 | ||
| Completeness [%] | 95.0 | 99.2 | 67.2 |
| Redundancy | 6.9 | 7.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop vapor diffusion | 7.4 | 298 | 12-30% PEG 3350, 0.1M HEPES PH 7.4,10 MM MNCL2, 10 MM GTP, hanging drop vapor diffusion, temperature 298K |
