5YIC
Crystal Structure of KNI-10333 bound Plasmepsin II (PMII) from Plasmodium falciparum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | I 4 |
Unit cell lengths | 106.500, 106.500, 71.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.650 - 1.900 |
R-factor | 0.18037 |
Rwork | 0.178 |
R-free | 0.22699 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.661 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.056 | 1.230 |
Number of reflections | 31284 | 4420 |
<I/σ(I)> | 16.6 | 1.5 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.2 M lithium sulfate, 1.26 M ammonium sulfate, 0.1 M Tris pH 8.5 |