5A27
Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-12 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.940, 90.590, 52.710 |
Unit cell angles | 90.00, 111.55, 90.00 |
Refinement procedure
Resolution | 21.830 - 1.370 |
R-factor | 0.14836 |
Rwork | 0.147 |
R-free | 0.18182 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.026 |
RMSD bond angle | 2.482 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 1.410 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.050 | 0.400 |
Number of reflections | 81394 | |
<I/σ(I)> | 13.2 | 2.2 |
Completeness [%] | 94.8 | 65.5 |
Redundancy | 3.9 | 2.7 |
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 |