6DUX
2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 85.226, 85.226, 228.858 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.890 - 2.250 |
| R-factor | 0.15612 |
| Rwork | 0.154 |
| R-free | 0.19129 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.365 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.102 | 0.782 |
| Rmeas | 0.109 | 0.832 |
| Rpim | 0.037 | 0.282 |
| Number of reflections | 46596 | 2254 |
| <I/σ(I)> | 22.9 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.5 | 8.6 |
| CC(1/2) | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 10.3 mg/ml, 0.01M Tris-HCl pH 8.3, 2mM NAD; Screen: Classics II (B11) 2.1M DL-malic acid pH 7.0; Cryo: Screen + 20% glycerol. |
