5FH4
The structure of rat cytosolic PEPCK variant E89D in complex with beta-sulfopyruvate 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 | 2011-04-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.590, 118.809, 60.508 |
| Unit cell angles | 90.00, 109.30, 90.00 |
Refinement procedure
| Resolution | 34.340 - 1.490 |
| R-factor | 0.2056 |
| Rwork | 0.204 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dt7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.621 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.490 | 3.230 | 1.500 |
| Rmerge | 0.088 | 0.056 | 0.512 |
| Total number of observations | 585490 | ||
| Number of reflections | 95906 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 99.9 | 99.1 | 99.9 |
| Redundancy | 6.1 | 6.3 | 5.9 |
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 |
