6AQS
Crystal structure of Plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant complexed with DADMe-ImmG and phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-09 |
| Detector | RAYONIX MX-225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 95.110, 95.110, 135.561 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.190 - 1.570 |
| R-factor | 0.18486 |
| Rwork | 0.183 |
| R-free | 0.21474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.383 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.190 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 33133 | 1621 |
| <I/σ(I)> | 13.7 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.7 | 8 |
| CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 100 mM tri-sodium citrate, pH 5.6, 200 mM ammonium sulfate, 15% w/v PEG4000 |
