2YND
Plasmodium vivax N-myristoyltransferase in complex with a pyrazole sulphonamide 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 | 2011-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.450, 119.050, 176.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.600 - 1.890 |
| R-factor | 0.17045 |
| Rwork | 0.168 |
| R-free | 0.22316 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.133 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.000 | 1.990 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.170 | 0.640 |
| Number of reflections | 97896 | |
| <I/σ(I)> | 8.4 | 2.7 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 6.6 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.2 M AMMONIUM SULPHATE, 25% PEG 3350, 0.1 M BIS-TRIS PH 6.0 |
