4TS3
Wild type E. Coli purine nucleoside phosphorylase with 2 FMC molecules in active sites
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-23 |
Detector | OXFORD RUBY CCD |
Wavelength(s) | 1.54128 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.921, 123.373, 189.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.620 - 2.300 |
R-factor | 0.1795 |
Rwork | 0.176 |
R-free | 0.23930 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.132 |
Data scaling software | SCALA |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.620 | 28.620 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.114 | 0.050 | 0.280 |
Rmeas | 0.130 | ||
Total number of observations | 241622 | 10928 | 21277 |
Number of reflections | 64926 | ||
<I/σ(I)> | 8.6633 | ||
Completeness [%] | 99.7 | 96.84 | 99.01 |
Redundancy | 3.72 | 5.03 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 291 | 50 mM citric buffer, 34 % ammonium sulphate |