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 |