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 |