8Q3D
HsNMT1 in complex with both MyrCoA and GNCFSKPR(NH2) inhibitor peptide
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-08 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.800, 178.340, 58.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.670 - 2.150 |
R-factor | 0.1446 |
Rwork | 0.142 |
R-free | 0.18670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.854 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.780 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rpim | 0.020 | 0.066 |
Number of reflections | 45961 | 3507 |
<I/σ(I)> | 29.3 | 13 |
Completeness [%] | 99.4 | 94.5 |
Redundancy | 17 | |
CC(1/2) | 0.999 | 0.984 |
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 |