7M7K
Crystal structure of uridine bound to Geobacillus thermoglucosidasius pyrimidine nucleoside phosphorylase PyNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 84.262, 84.262, 121.694 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.330 - 1.890 |
R-factor | 0.1755 |
Rwork | 0.174 |
R-free | 0.20780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1brw |
RMSD bond length | 0.006 |
RMSD bond angle | 0.793 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.330 | 1.961 |
High resolution limit [Å] | 1.890 | 1.893 |
Number of reflections | 35436 | 3340 |
<I/σ(I)> | 13.26 | |
Completeness [%] | 99.5 | |
Redundancy | 13.9 | |
CC(1/2) | 0.999 | 0.489 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium sulfate and 20% PEG3350 |