5O4V
P.vivax NMT with aminomethylindazole and quinoline inhibitors bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.559, 121.881, 179.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.530 - 1.700 |
R-factor | 0.20965 |
Rwork | 0.207 |
R-free | 0.25757 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5o48 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.883 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.171 | 1.399 |
Rpim | 0.111 | 0.900 |
Number of reflections | 139052 | 6801 |
<I/σ(I)> | 6.4 | 1.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.2 | 6.4 |
CC(1/2) | 0.986 | 0.360 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 0.2 M AS, 25% PEG 3350, 0.1 M Bis-Tris |