6JBD
Phosphotransferase-ATP complex related to CoA biosynthesis pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-05 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 95.323, 95.323, 60.691 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 100.000 - 2.500 |
Rwork | 0.219 |
R-free | 0.25940 |
Structure solution method | SIR |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.790 | 2.500 |
Rmerge | 0.064 | 0.033 | 0.388 |
Rmeas | 0.067 | 0.035 | 0.407 |
Rpim | 0.020 | 0.011 | 0.122 |
Number of reflections | 11320 | 593 | 553 |
<I/σ(I)> | 10.6 | ||
Completeness [%] | 99.7 | 95 | 100 |
Redundancy | 10.9 | 9.3 | 11.1 |
CC(1/2) | 0.998 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 8000, calcium acetate, ATP, magnesium chloride |