6P5O
The structure of rat cytosolic PEPCK in complex with 3-(carboxymethylthiol)-picolinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-17 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97952 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.409, 118.707, 60.863 |
| Unit cell angles | 90.00, 109.61, 90.00 |
Refinement procedure
| Resolution | 59.350 - 1.490 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qew |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.443 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.000 | 60.000 | 1.550 |
| High resolution limit [Å] | 1.490 | 3.230 | 1.490 |
| Rmerge | 0.079 | 0.051 | 0.510 |
| Number of reflections | 94702 | 9557 | 9390 |
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.9 | 99.6 | 99.4 |
| Redundancy | 4.8 | 4.9 | 4.6 |
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, 1mM CMP |
