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 |
