8QW3
Human NDPK-C in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0052 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.315, 67.865, 68.423 |
| Unit cell angles | 108.49, 112.34, 101.11 |
Refinement procedure
| Resolution | 60.119 - 1.255 |
| Rwork | 0.147 |
| R-free | 0.17550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.671 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.120 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.049 | 0.947 |
| Rmeas | 0.060 | 1.339 |
| Rpim | 0.033 | 0.947 |
| Number of reflections | 198602 | 9337 |
| <I/σ(I)> | 8.6 | 0.7 |
| Completeness [%] | 94.2 | 89 |
| Redundancy | 2.8 | 1.8 |
| CC(1/2) | 0.970 | 0.401 |
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 |
