6AMY
Crystal structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.360, 83.210, 148.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.946 - 2.850 |
R-factor | 0.1813 |
Rwork | 0.177 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gos |
RMSD bond length | 0.008 |
RMSD bond angle | 1.007 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.946 | 41.946 | 2.920 |
High resolution limit [Å] | 2.850 | 12.750 | 2.850 |
Rmerge | 0.060 | 0.027 | 0.526 |
Rmeas | 0.065 | 0.029 | 0.561 |
Total number of observations | 156216 | ||
Number of reflections | 19263 | 251 | 1423 |
<I/σ(I)> | 24.34 | 52.86 | 3.97 |
Completeness [%] | 99.9 | 93.3 | 100 |
Redundancy | 8.11 | 6.183 | 8.318 |
CC(1/2) | 0.999 | 0.999 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | AcbaC.00002.a.B1.PS02398 at 23.06 mg/mL against MCSG1 condition C12 0.1 M BisTris pH 6.5, 25% PEG 3350, crystal tracking ID 263652c12, unique puck ID tvb4-5 |