6MB0
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-1002
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 | 57.440, 121.190, 178.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.550 |
R-factor | 0.1525 |
Rwork | 0.152 |
R-free | 0.17780 |
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 | 0.094 | 0.045 | 0.544 |
Rmeas | 0.102 | 0.050 | 0.595 |
Number of reflections | 176323 | 2225 | 12704 |
<I/σ(I)> | 12.78 | 28.72 | 3.18 |
Completeness [%] | 97.6 | 98.5 | 96.2 |
Redundancy | 6.036 | 5.443 | 6.026 |
CC(1/2) | 0.997 | 0.997 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | 24% PEG 3350, 200 mM Ammonium Sulfate, 100 mM BisTris pH 6.5, 0.5mM IMP-0001088, 0.5mM myristoyl CoA: PlviB.18219.a.FR21.PS38348 conc 12.53mg/mL: puck id zzu5-1 |