4A32
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-17 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.860, 91.254, 53.842 |
Unit cell angles | 90.00, 113.86, 90.00 |
Refinement procedure
Resolution | 19.380 - 2.200 |
R-factor | 0.17934 |
Rwork | 0.176 |
R-free | 0.23278 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h5z |
RMSD bond length | 0.012 |
RMSD bond angle | 1.546 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.350 |
Number of reflections | 20985 | |
<I/σ(I)> | 13.5 | 2.3 |
Completeness [%] | 95.2 | 78.9 |
Redundancy | 3.2 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25.9% PEG 1500, 0.2 M NACL, 0.1 M NACACODYLATE PH 5.6 . |