5UGF
Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate
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 | 2016-10-18 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.960, 124.270, 136.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.260 - 2.200 |
| R-factor | 0.21503 |
| Rwork | 0.214 |
| R-free | 0.23809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.368 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.260 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.170 | |
| Number of reflections | 91303 | |
| <I/σ(I)> | 5.8 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6 |
| CC(1/2) | 0.990 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 100 mM HEPES, pH 7.5, 0.2 M lithium sulfate, 25% w/v PEG3350 |
