4A30
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 ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-15 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.636, 90.676, 53.514 |
Unit cell angles | 90.00, 114.02, 90.00 |
Refinement procedure
Resolution | 19.950 - 1.500 |
R-factor | 0.18843 |
Rwork | 0.187 |
R-free | 0.22127 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h5z |
RMSD bond length | 0.029 |
RMSD bond angle | 2.390 |
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] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.040 | 0.230 |
Number of reflections | 66101 | |
<I/σ(I)> | 29 | 3 |
Completeness [%] | 97.4 | 93.8 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25.9% PEG1500,0.2 M NACL, 0.1 M NA CACODYLATE, PH 5.6 |