6EWF
Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-29 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.390, 90.220, 52.530 |
| Unit cell angles | 90.00, 111.91, 90.00 |
Refinement procedure
| Resolution | 48.738 - 1.535 |
| R-factor | 0.170764560134 |
| Rwork | 0.169 |
| R-free | 0.19439 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5z |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.444 |
| Data reduction software | XDS (BUILT=20170615) |
| Data scaling software | XSCALE (BUILT=20170615) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.738 | 1.562 |
| High resolution limit [Å] | 1.535 | 1.535 |
| Rmerge | 0.034 | 0.479 |
| Rmeas | 0.048 | 0.670 |
| Rpim | 0.033 | 0.468 |
| Number of reflections | 59058 | 2944 |
| <I/σ(I)> | 15.7 | 2.2 |
| Completeness [%] | 98.8 | 99.3 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.999 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293.15 | PEG 1500 25 % Sodium chloride 0.2 M Sodium cacodylate 0.1 M |
