4CGN
Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.220, 91.280, 53.229 |
| Unit cell angles | 90.00, 113.28, 90.00 |
Refinement procedure
| Resolution | 48.900 - 1.690 |
| R-factor | 0.17792 |
| Rwork | 0.176 |
| R-free | 0.22353 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.120 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.080 | 0.760 |
| Number of reflections | 47217 | |
| <I/σ(I)> | 10.2 | 1.6 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.1 | 4 |
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 |
