4TS9
Crystal structure of wild type E. Coli purine nucleoside phosphorylase with 6 FMC molecules
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-03 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97977 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 120.625, 120.625, 240.006 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.160 - 1.770 |
R-factor | 0.1571 |
Rwork | 0.156 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k9s |
RMSD bond length | 0.007 |
RMSD bond angle | 1.224 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.170 | 1.870 | |
High resolution limit [Å] | 1.770 | 5.270 | 1.770 |
Rmerge | 0.085 | 0.041 | 0.458 |
Rmeas | 0.087 | 0.041 | 0.464 |
Total number of observations | 3871879 | ||
Number of reflections | 98266 | 4192 | 13865 |
<I/σ(I)> | 42.19 | 101.1 | 9.6 |
Completeness [%] | 97.3 | 99.8 | 86.4 |
Redundancy | 39 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 291 | 50 mM citric buffer, 32 % ammonium sulphate |