3MB8
Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H
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 | 2009-02-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 6 |
| Unit cell lengths | 159.622, 159.622, 53.606 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.222 |
| Rwork | 0.221 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.457 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 138.680 | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
| Rmerge | 0.136 | 0.060 | 0.541 |
| Number of reflections | 61484 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 99.4 | 100 | 94.4 |
| Redundancy | 11.4 | 12.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 100mM Tris, 0.2M Trimethylamine N-oxide dihydrate, 25% PEG 2000MME, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
