4UFV
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 18)
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 | 2011-08-03 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.480, 118.990, 177.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 98.880 - 1.750 |
R-factor | 0.18855 |
Rwork | 0.186 |
R-free | 0.23715 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.020 |
RMSD bond angle | 2.030 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.130 | 0.600 |
Number of reflections | 121366 | |
<I/σ(I)> | 12 | 2.3 |
Completeness [%] | 98.2 | 91.7 |
Redundancy | 3.5 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 0.2M AS, 25% PEG 3350, 0.1M BIS-TRIS PH 6.0 |