5AG6
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE 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 | 2011-02-25 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.720, 90.270, 53.270 |
| Unit cell angles | 90.00, 114.57, 90.00 |
Refinement procedure
| Resolution | 33.020 - 2.000 |
| R-factor | 0.17513 |
| Rwork | 0.172 |
| R-free | 0.23588 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5z |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.959 |
| 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] | 33.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.320 |
| Number of reflections | 26648 | |
| <I/σ(I)> | 11 | 3.5 |
| Completeness [%] | 93.4 | 87.8 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25.9%PEG1500, 0.2M NACL, 0.1M CACODYLATE PH 5.5 |
