6N4E
hPGDS complexed with a quinoline-3-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2017-11-15 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.599, 72.760, 93.985 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.720 - 1.650 |
| R-factor | 0.1937 |
| Rwork | 0.193 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.273 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.067 | 0.637 |
| Number of reflections | 26009 | 1052 |
| <I/σ(I)> | 28 | |
| Completeness [%] | 94.5 | 77.8 |
| Redundancy | 7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 18% Peg6K, 0.05 M tris pH 8.5, 5% glycerol, 10 mM DTT, 1% 1,4 Dioxane |
