5G21
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-21 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.676, 91.068, 53.571 |
| Unit cell angles | 90.00, 114.55, 90.00 |
Refinement procedure
| Resolution | 48.730 - 1.500 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.20925 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.621 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.560 |
| Number of reflections | 67660 | |
| <I/σ(I)> | 13.8 | 2.3 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 4.2 | 3.9 |
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 |
