4M7W
Crystal structure of purine nucleoside phosphorylase from Leptotrichia buccalis C-1013-b, NYSGRC Target 029767.
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-09 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 164.877, 164.877, 45.527 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.900 - 1.900 |
| R-factor | 0.2035 |
| Rwork | 0.201 |
| R-free | 0.24380 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.409 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.110 | 0.075 | 0.366 |
| Number of reflections | 55825 | ||
| <I/σ(I)> | 13.7 | ||
| Completeness [%] | 99.8 | 99.6 | 99.6 |
| Redundancy | 14.2 | 17.3 | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M sodium acetate:acetic acid, pH 4.5, 0.8 M NaH2PO4/1.2M K2HPO4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
