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) |