8QVZ
Human NDPK-C in complex with cAMP
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 |
| Unit cell lengths | 52.021, 67.411, 68.147 |
| Unit cell angles | 108.70, 112.35, 100.85 |
Refinement procedure
| Resolution | 45.036 - 1.774 |
| Rwork | 0.166 |
| R-free | 0.21030 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.664 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.036 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.127 | 1.014 |
| Rmeas | 0.144 | 1.153 |
| Rpim | 0.067 | 0.540 |
| Number of reflections | 71473 | 3711 |
| <I/σ(I)> | 6.2 | 1.2 |
| Completeness [%] | 97.3 | 88.4 |
| Redundancy | 4.6 | 4.4 |
| CC(1/2) | 0.993 | 0.612 |
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 |
