Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2014-10-09 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.8856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.910, 94.620, 46.350 |
| Unit cell angles | 90.00, 96.21, 90.00 |
Refinement procedure
| Resolution | 40.500 - 1.700 |
| R-factor | 0.1691 |
| Rwork | 0.167 |
| R-free | 0.20830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ayl |
| 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] | 40.500 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.180 | 1.237 |
| Rmeas | 0.209 | |
| Rpim | 0.106 | 0.726 |
| Number of reflections | 58603 | 5814 |
| <I/σ(I)> | 9.63 | 1.25 |
| Completeness [%] | 99.6 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.992 | 0.491 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293 | A 2ul drop with 3 mg/ml S250A PCK, 5 mM Manganese chloride, 5mM Magnesium chloride, 2 mM ATP, 2mM Pyruvate, 1 mM EDTA, 200 mM Ammonium acetate, 100 mM Sodium acetate pH 4.8, 0.01 mM DTT, 12% PEG 4000 was added to 2 ul drop containing 0.01 mM Nickel chloride, 0.1 M Tris pH 8.5, 20% PEG 2000. After a week a rod like crystal was removed and soaked in a solution with 30% glycerol 1mM EDTA, 100 mM sodium acetate 200mM ammonium acetate and 12% PEG 4000 for 10 seconds and flash cooled in liquid notrogen |
