8QW2
Human NDPK-C in complex with UDP and Mg2+
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 | 2021-09-09 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.6888 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.532, 115.991, 83.842 |
| Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
| Resolution | 47.717 - 1.870 |
| Rwork | 0.170 |
| R-free | 0.20260 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.618 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.717 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.042 | 1.187 |
| Rmeas | 0.047 | 1.331 |
| Rpim | 0.020 | 0.592 |
| Number of reflections | 83689 | 8175 |
| <I/σ(I)> | 15 | 1.1 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 5.2 | 4.9 |
| CC(1/2) | 0.997 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 27% glycerol, 7% PEG 8000, 40 mM KH2PO4 |
