5AG4
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-06 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.710, 90.884, 53.867 |
Unit cell angles | 90.00, 113.48, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.990 |
R-factor | 0.1857 |
Rwork | 0.182 |
R-free | 0.24674 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h5z |
RMSD bond length | 0.024 |
RMSD bond angle | 2.046 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.400 |
Number of reflections | 28546 | |
<I/σ(I)> | 24 | 1.7 |
Completeness [%] | 97.8 | 84.3 |
Redundancy | 3.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25.9%PEG1500,0.2M NACL, PH 5.5 |