5AGE
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-03-04 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.024, 90.165, 52.966 |
| Unit cell angles | 90.00, 113.78, 90.00 |
Refinement procedure
| Resolution | 19.750 - 2.000 |
| R-factor | 0.17693 |
| Rwork | 0.174 |
| R-free | 0.23516 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5z |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.976 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 25800 | |
| <I/σ(I)> | 22 | 2.7 |
| Completeness [%] | 92.3 | 85.6 |
| Redundancy | 2.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25.9%PEG1500,0.2M NACL, 0.1M CACODYLATE, PH 5.6 |
