4JXR
Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti in complex with AcCoA
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 | 2013-03-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.256, 80.978, 83.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.770 - 1.150 |
R-factor | 0.11584 |
Rwork | 0.115 |
R-free | 0.13660 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.922 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 (SOLVE/RESOLVE) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.770 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.052 | 0.348 |
Number of reflections | 122819 | |
<I/σ(I)> | 54.7 | 3.7 |
Completeness [%] | 98.7 | 87 |
Redundancy | 7.5 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 0.2 M di-Ammonium citrate pH 5.0, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K |