4UC0
Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
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 | 2013-07-18 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 63 |
Unit cell lengths | 97.881, 97.881, 46.356 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.1816 |
Rwork | 0.179 |
R-free | 0.22410 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.361 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.093 | 0.063 | 0.942 |
Total number of observations | 214774 | ||
Number of reflections | 19502 | ||
<I/σ(I)> | 11.2 | 3.1 | |
Completeness [%] | 99.5 | 91.8 | 100 |
Redundancy | 11 | 9.8 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol; Reservoir (0.16M MgCl2, 0.08M Tris-HCl pH 8.5, 24% PEG 4000, 20% glycerol - MCSG1 #22); Cryoprotection (None) |