6XZ2
Crystal structure of E. Coli purine nucleoside phosphorylase mutant Y160W with SO4 and Formycin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0064 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 120.475, 120.475, 239.799 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 78.707 - 1.650 |
R-factor | 0.180478601074 |
Rwork | 0.180 |
R-free | 0.19187 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ecp |
RMSD bond length | 0.006 |
RMSD bond angle | 0.816 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.300 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.175 | 1.483 |
Rmeas | 0.177 | 1.507 |
Rpim | 0.028 | 0.260 |
Number of reflections | 123021 | 5869 |
<I/σ(I)> | 14.7 | |
Completeness [%] | 99.4 | |
Redundancy | 99.8 | |
CC(1/2) | 0.998 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 291 | 50 mM citrate buffer pH 5.2, 14 % ammonium sulphate (w/v) |