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 |
