8Q3S
HsNMT1 in complex with both MyrCoA and GNCFSKAR inhibitor peptide
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 | 2016-06-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.900, 179.170, 58.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.840 - 1.780 |
R-factor | 0.1808 |
Rwork | 0.179 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.844 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.840 | 1.830 |
High resolution limit [Å] | 1.780 | 1.780 |
Rpim | 0.039 | 0.048 |
Number of reflections | 80129 | 5568 |
<I/σ(I)> | 12.5 | 1.6 |
Completeness [%] | 99.3 | 94 |
Redundancy | 7.4 | 6.8 |
CC(1/2) | 0.999 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MgCl2, 0.2 M NaCl, 0.1 M sodium citrate pH 5.6, and 18-24% (w/v) PEG 6K or 8K |