6GNH
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.613, 90.990, 53.561 |
Unit cell angles | 90.00, 114.61, 90.00 |
Refinement procedure
Resolution | 38.710 - 1.890 |
R-factor | 0.1718 |
Rwork | 0.169 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wsa |
RMSD bond length | 0.019 |
RMSD bond angle | 1.931 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.067 | |
Number of reflections | 28979 | |
<I/σ(I)> | 15 | |
Completeness [%] | 86.0 | 65 |
Redundancy | 3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 26%PEG1500,0.2M NACL, 0.1M NACACODYLATE, PH 5.6 |