3TNG
The crystal structure of a possible phosphate acetyl/butaryl transferase from Listeria monocytogenes EGD-e.
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 | 2011-06-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97926 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 66.488, 66.488, 125.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.586 - 2.160 |
R-factor | 0.1978 |
Rwork | 0.195 |
R-free | 0.24230 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.084 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 2.180 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.076 | 0.696 |
Number of reflections | 15547 | |
<I/σ(I)> | 53.2 | 4.3 |
Completeness [%] | 99.0 | 100 |
Redundancy | 11.2 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.005M Co chloride, 0.005M Ni chloride, 0.005M Cd chloride, 0.005M Mg chloride, 0.1M HEPES, 12% w/v PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |