4TYM
Crystal structure of purine nucleoside phosphorylase from Streptococcus agalactiae 2603V/R, NYSGRC Target 030935
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 | 2014-05-26 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 156.552, 156.552, 52.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.895 - 2.399 |
| R-factor | 0.1677 |
| Rwork | 0.166 |
| R-free | 0.19260 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.088 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.133 | 0.065 | 0.948 |
| Total number of observations | 126748 | ||
| Number of reflections | 32265 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 88.8 | 96.8 | 43.9 |
| Redundancy | 3.9 | 4.5 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2 M lithium sulfate, 0.1 M Tris:HCl, pH 7.0. 2.0 M ammonium sulfate |
