4C68
Plasmodium vivax N-myristoyltransferase in complex with a peptidomimetic inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-22 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.330, 121.430, 178.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.970 - 1.380 |
R-factor | 0.22189 |
Rwork | 0.220 |
R-free | 0.25989 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.025 |
RMSD bond angle | 2.490 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 1.450 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.110 | 0.580 |
Number of reflections | 256405 | |
<I/σ(I)> | 13.4 | 2.8 |
Completeness [%] | 99.8 | 99 |
Redundancy | 8.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.2 M AS, 25% PEG 3350, 0.1 M BIS-TRIS PH 5.5 |