4YWB
Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid and oxalic acid
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 | 2010-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.124, 118.732, 86.393 |
| Unit cell angles | 90.00, 107.27, 90.00 |
Refinement procedure
| Resolution | 27.210 - 1.500 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qew |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.765 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.079 | 0.617 |
| Number of reflections | 191896 | |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 97.4 | 83.8 |
| Redundancy | 7.3 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 25% PEG 3350, 0.1M HEPES PH 7.4,2 MM MNCL2, 1MM 3-MERCAPTOPICOLINIC ACID, 10 MM OXALIC ACID, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
