6RME
Structure of IMP bound Plasmodium falciparum IMP-nucleotidase mutant D172N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-30 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.260, 204.610, 115.920 |
| Unit cell angles | 90.00, 113.19, 90.00 |
Refinement procedure
| Resolution | 47.250 - 3.400 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rmd |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.503 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.720 | 3.600 |
| High resolution limit [Å] | 3.100 | 3.400 |
| Number of reflections | 83738 | 9981 |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.6 | |
| CC(1/2) | 0.992 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1 M HEPES pH 7.5, 0.2 M calcium acetate, 10% (w/v) PEG 8000 , 5 mM IMP |
