4A2Z
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 | 48.498, 90.977, 53.459 |
| Unit cell angles | 90.00, 114.05, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.310 |
| R-factor | 0.16547 |
| Rwork | 0.161 |
| R-free | 0.22573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5z |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.785 |
| 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] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.230 |
| Number of reflections | 17977 | |
| <I/σ(I)> | 17 | 2.8 |
| Completeness [%] | 96.5 | 79.2 |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25.9%PEG1500,0.2M NACL, pH 5.5 |
