7R4L
Crystal structure of human mitochondrial NAD kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.406, 68.406, 223.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.370 - 2.600 |
| R-factor | 0.1809 |
| Rwork | 0.178 |
| R-free | 0.23510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | alphafold |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.062 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.370 | 221.510 | 2.730 |
| High resolution limit [Å] | 2.600 | 9.050 | 2.610 |
| Rmerge | 0.517 | 0.034 | 1.051 |
| Rmeas | 0.558 | 0.038 | 1.144 |
| Rpim | 0.210 | 0.017 | 0.429 |
| Total number of observations | 2212 | 11972 | |
| Number of reflections | 17069 | 493 | 1936 |
| <I/σ(I)> | 1.36 | 33.8 | 1.2 |
| Completeness [%] | 99.5 | 98.8 | 98.7 |
| Redundancy | 6.6 | 4.5 | 6.2 |
| CC(1/2) | 0.944 | 0.997 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 400 28% v/v, CaCl2 150 mM, 0.1 M Sodium HEPES, 2% glycerol |
