3OZG
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with S-SerMe-ImmH phosphonate
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 | 2010-04-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 105.095, 110.628, 173.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 1.993 |
| R-factor | 0.22149 |
| Rwork | 0.219 |
| R-free | 0.26418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cbj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.503 |
| 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] | 1.993 | 4.300 | 1.993 |
| Rmerge | 0.149 | 0.065 | 0.707 |
| Number of reflections | 67657 | ||
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 98.5 | 100 | 88.7 |
| Redundancy | 7.3 | 7.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 200mM sodium citrate, 20% PEG3350, pH 7.4, vapor diffusion, sitting drop, temperature 291K |
