4UCP
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 | 48.501, 90.889, 53.509 |
| Unit cell angles | 90.00, 114.01, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.500 |
| R-factor | 0.17094 |
| Rwork | 0.170 |
| R-free | 0.19583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h5z |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.436 |
| 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] | 45.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.490 |
| Number of reflections | 67421 | |
| <I/σ(I)> | 18 | 2.5 |
| Completeness [%] | 94.7 | 90.9 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 30% PEG 1500, 0.2 M NACL, 0.1 M NA CACODYLATE, PH 5.5 |
