4A33
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 | 48.230, 91.330, 53.380 |
Unit cell angles | 90.00, 113.52, 90.00 |
Refinement procedure
Resolution | 19.910 - 2.400 |
R-factor | 0.17712 |
Rwork | 0.171 |
R-free | 0.25764 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h5z |
RMSD bond length | 0.016 |
RMSD bond angle | 1.695 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.110 | 0.480 |
Number of reflections | 16497 | |
<I/σ(I)> | 8.8 | 2.8 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25.9%PEG1500,0.2M NACL, 0.1M NACACODYLATE, PH 5.6 |