8Q24
HsNMT1 in complex with both MyrCoA and (DAB)SFSKPR inhibitor peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97563 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 78.739, 177.986, 58.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.750 - 1.900 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o9t |
RMSD bond length | 0.007 |
RMSD bond angle | 0.943 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.750 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rpim | 0.023 | 0.233 |
Number of reflections | 124527 | 4176 |
<I/σ(I)> | 25 | 4.5 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 13.8 | 13.1 |
CC(1/2) | 1.000 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 22% PEG6K, 100mM Sodium Citrate pH 5.6, 0.1 M MgCL2, 0.1 M NaCl |