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 |
