3PHC
Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase in complex with DADMe-ImmG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-04 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.197, 77.371, 92.197 |
| Unit cell angles | 67.71, 73.62, 86.03 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.1995 |
| Rwork | 0.198 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.317 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
| Rmerge | 0.059 | 0.041 | 0.152 |
| Number of reflections | 95778 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 94.2 | 99.1 | 78.9 |
| Redundancy | 3.2 | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 0.1M sodium formate, 10% PEG 3350, pH 7.4, vapor diffusion, sitting drop, temperature 291K |
