8OOV
human NME-1 in complex with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-18 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 79.070, 113.012, 118.119 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.660 - 1.700 |
| R-factor | 0.1695 |
| Rwork | 0.168 |
| R-free | 0.19590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (21-NOV-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.650 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.099 | 1.081 |
| Number of reflections | 58147 | 3052 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5 | |
| CC(1/2) | 0.996 | 0.505 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% MPD, 100mM MES pH 6.5 |
