6TW8
Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.020, 89.820, 97.180 |
Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
Resolution | 65.000 - 1.790 |
Rwork | 0.218 |
R-free | 0.26450 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.667 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.000 | 1.820 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.088 | 0.666 |
Number of reflections | 82872 | 4573 |
<I/σ(I)> | 8.7 | 1.9 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 30% PEG 1500, 0.2 M NaCl, 0.1 M Na cacodylate, pH 5.5 |