Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2014-07-10 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.906, 76.647, 65.421 |
| Unit cell angles | 90.00, 96.38, 90.00 |
Refinement procedure
| Resolution | 44.290 - 1.650 |
| R-factor | 0.1465 |
| Rwork | 0.146 |
| R-free | 0.17430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oen |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.450 | 1.709 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.076 | 0.319 |
| Rmeas | 0.084 | 0.356 |
| Rpim | 0.036 | 0.158 |
| Number of reflections | 64733 | 6479 |
| <I/σ(I)> | 14.67 | 4.56 |
| Completeness [%] | 99.8 | 99.92 |
| Redundancy | 5.1 | 4.9 |
| CC(1/2) | 0.997 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293 | 2 ul drop containing 2 mg/ml Lys254Ser E. coli PCK, 5 mM MnCl2, 5mM MgCl2, 2mM ATP, 2mM pyruvate, 1 mM EDTA, 200 mM ammonium acetate, 100 mM sodium acetate pH 4.8, 0.01 mM DTT and 10% PEG 4000, was added to 2 ul drop containing 0.2 M calcium chloride and 20% PEG. Rod like crystals formed after 7 days, were harvested, and soaked in cryoprotectant solution (30% glycerol, 1mM EDTA, 100 mM sodium acetate, 200 mM ammonium acetate and 12% PEG 4000) for 10 seconds and flash cooled in liquid nitrogen |
