5ETJ
Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human 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 | 2015-11-04 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 268.808, 58.845, 173.155 |
| Unit cell angles | 90.00, 112.92, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.1797 |
| Rwork | 0.178 |
| R-free | 0.21090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.527 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP (11.3.02) |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.777 | |
| Number of reflections | 105996 | |
| <I/σ(I)> | 16.3 | 2.82 |
| Completeness [%] | 99.2 | 96.4 |
| Redundancy | 7.47 | 7.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein (10 mg/mL); Reservoir (0.2 M lithium sulfate, 0.1 M TRIS-HCl, pH 8.5 and 20% (w/v) PEG 4000) |
