8QW0
Human NDPK-C in complex with GDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 104.340, 78.640, 112.370 |
| Unit cell angles | 90.00, 97.56, 90.00 |
Refinement procedure
| Resolution | 46.592 - 2.175 |
| Rwork | 0.189 |
| R-free | 0.22890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.812 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.592 | 2.230 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.152 | 1.388 |
| Rmeas | 0.160 | 1.495 |
| Number of reflections | 94493 | 6518 |
| <I/σ(I)> | 9.64 | 1.04 |
| Completeness [%] | 99.5 | 94.2 |
| Redundancy | 10.3 | 7.2 |
| CC(1/2) | 0.998 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.4 | 291 | 6% PEG 3350, 150 mM Li2SO4, 100 mM Tri-sodium citrate pH 5.4 |
