8Q3T
HsNMT1 in complex with both MyrCoA and GNCFSKPRVPTK inhibitor peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.96112 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.610, 178.580, 58.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.670 - 1.960 |
R-factor | 0.1535 |
Rwork | 0.151 |
R-free | 0.19570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.873 |
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] | 48.720 | 2.020 |
High resolution limit [Å] | 1.960 | 1.960 |
Rpim | 0.026 | 0.136 |
Number of reflections | 59629 | 4200 |
<I/σ(I)> | 22.7 | 6.1 |
Completeness [%] | 99.6 | 95.8 |
Redundancy | 7.4 | 7 |
CC(1/2) | 0.999 | 0.961 |
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 |