6QDF
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000096
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.519, 90.286, 53.010 |
| Unit cell angles | 90.00, 111.83, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.490 |
| R-factor | 0.17442 |
| Rwork | 0.172 |
| R-free | 0.21290 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.012 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.046 | 0.641 |
| Number of reflections | 67622 | |
| <I/σ(I)> | 11.5 | 1.5 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 30% PEG 1500, 0.2 M NACL, 0.1 M NA CACODYLATE, PH 5.5 |
