6W8H
H-PGDS complexed with inhibitor 1Y
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.331, 67.197, 69.740 |
| Unit cell angles | 90.00, 96.88, 90.00 |
Refinement procedure
| Resolution | 47.980 - 1.970 |
| R-factor | 0.1998 |
| Rwork | 0.198 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6n4e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.408 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.054 | |
| Rmeas | 0.062 | |
| Rpim | 0.030 | 0.648 |
| Number of reflections | 29980 | 1144 |
| <I/σ(I)> | 23.66 | |
| Completeness [%] | 95.2 | 73 |
| Redundancy | 3.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 295 | 50mM Tris(hydroxymethyl)aminomethane hydrochloride pH 7.5, 50 mM sodium chloride, 1mM DTT, 15 mM glutathione, 1 mM MgCl2 |
