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 |