3VI2
Crystal Structure Analysis of Plasmodium falciparum OMP Decarboxylase in complex with inhibitor HMOA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 201.970, 201.970, 44.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.500 - 2.100 |
R-factor | 0.2167 |
Rwork | 0.213 |
R-free | 0.28380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.837 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 37285 | |
Completeness [%] | 95.1 | 95.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100mM Tris-HCl, 27% PEGmme 2K, 3% 1,6-Hexandiol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |