4TTQ
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 82.369, 36.210, 82.092 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.148 - 2.200 |
R-factor | 0.1924 |
Rwork | 0.189 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ttr |
RMSD bond length | 0.015 |
RMSD bond angle | 1.611 |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.108 | 0.494 |
Number of reflections | 12675 | |
<I/σ(I)> | 12 | 2.5 |
Completeness [%] | 96.4 | 94.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 285 | 0.1M Sodium citrate (pH 5.6), 12%(w/v) PEG4000, 18%(v/v) 2-propanol |