4UCM
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.126, 91.207, 53.651 |
| Unit cell angles | 90.00, 112.67, 90.00 |
Refinement procedure
| Resolution | 49.510 - 2.320 |
| R-factor | 0.21427 |
| Rwork | 0.211 |
| R-free | 0.26743 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5z |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.077 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.030 | 0.080 |
| Number of reflections | 17931 | |
| <I/σ(I)> | 24 | 10 |
| Completeness [%] | 97.4 | 87.7 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25.9%PEG1500,0.2M NACL, 0.1M NACACODYLATE, PH 5.6 |
