5T2Y
Crystal Structure of C. jejuni PglD in complex with 5-methyl-4-(methylamino)-2-phenethylthieno[2,3-d]pyrimidine-6-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2015-07-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | P 3 |
Unit cell lengths | 106.696, 106.696, 46.941 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.198 - 1.940 |
R-factor | 0.1563 |
Rwork | 0.154 |
R-free | 0.19080 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.958 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.800 | 1.940 |
Rmerge | 0.075 | 0.720 |
Number of reflections | 43477 | |
<I/σ(I)> | 16.9 | 1.68 |
Completeness [%] | 98.3 | 94.9 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 15% PEG-3350 0.1M NaF 10% glycerol |