5I3C
Crystal structure of E.coli purine nucleoside phosphorylase with acycloguanosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 120.030, 120.030, 238.141 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.950 - 2.320 |
| R-factor | 0.17806 |
| Rwork | 0.176 |
| R-free | 0.21664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rj2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.495 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.450 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.097 | 0.280 |
| Number of reflections | 44040 | |
| <I/σ(I)> | 7.004 | 2.66 |
| Completeness [%] | 98.7 | 93.72 |
| Redundancy | 5.55 | 3.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 294 | ammonium sulphate |
