7ZSL
human purine nucleoside phosphorylase in complex with JS-196
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.120, 185.100, 79.180 |
| Unit cell angles | 90.00, 119.94, 90.00 |
Refinement procedure
| Resolution | 38.760 - 1.800 |
| R-factor | 0.2255 |
| Rwork | 0.225 |
| R-free | 0.26750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.682 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 156419 | 6131 |
| <I/σ(I)> | 13.26 | |
| Completeness [%] | 85.8 | |
| Redundancy | 3.56 | |
| CC(1/2) | 0.970 | 0.442 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.3 M magnesium chloride, 0.3 M calcium chloride, 20% w/v PEG 8000, 40% v/v ethylene glycol, 0.1 M MES/Imidazol, pH 6.0 |
