6MAZ
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-0366
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.500, 121.250, 177.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.550 |
R-factor | 0.145 |
Rwork | 0.145 |
R-free | 0.16640 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3228: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.590 |
High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
Rmerge | 0.066 | 0.024 | 0.537 |
Rmeas | 0.073 | 0.026 | 0.586 |
Number of reflections | 180669 | 2234 | 13216 |
<I/σ(I)> | 18.81 | 53.8 | 3.4 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 6.18 | 5.547 | 6.15 |
CC(1/2) | 0.999 | 0.999 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | 27% PEG 3350, 200 mM Ammonium Sulfate, 100 mM BisTris pH 6.0, 0.5mM IMP-0366, 0.5mM myristoyl CoA: PlviB.18219.a.FR21.PS38348 conc 12.2mg/mL: 20eg: puck id zzu5-6 |