5JDA
Bacillus cereus CotH kinase plus Mg2+/AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97935 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.757, 63.516, 118.284 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.279 - 1.401 |
R-factor | 0.1706 |
Rwork | 0.170 |
R-free | 0.18400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5jd9 |
RMSD bond length | 0.021 |
RMSD bond angle | 0.775 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
Rmerge | 0.065 | 0.033 | 0.810 |
Rmeas | 0.073 | ||
Rpim | 0.032 | ||
Total number of observations | 344375 | ||
Number of reflections | 74634 | ||
<I/σ(I)> | 9 | ||
Completeness [%] | 94.7 | 94 | 71.2 |
Redundancy | 4.6 | 5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.75 | 293 | 0.1 M cacodylate, 0.2 M magnesium chloride, 5 mM ADP, 15% PEG 3350, 30% ethylene glycol |