3U9E
The crystal structure of a possible phosphate acetyl/butaryl transferase (from Listeria monocytogenes EGD-e) in complex with CoA.
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 | 2011-10-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97926 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.739, 76.727, 80.090 |
Unit cell angles | 90.00, 104.08, 90.00 |
Refinement procedure
Resolution | 38.842 - 2.040 |
R-factor | 0.1908 |
Rwork | 0.188 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tng |
RMSD bond length | 0.007 |
RMSD bond angle | 1.064 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 2.090 |
High resolution limit [Å] | 2.040 | 2.050 |
Rmerge | 0.139 | 0.685 |
Number of reflections | 61592 | |
<I/σ(I)> | 15.1 | 1.7 |
Completeness [%] | 99.2 | 98.8 |
Redundancy | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.1M Bis-Tris, 25% W/V PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |