4LDN
Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521)
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 | 2013-04-18 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.979310 |
Spacegroup name | H 3 2 |
Unit cell lengths | 163.115, 163.115, 45.339 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.840 - 1.480 |
R-factor | 0.1636 |
Rwork | 0.162 |
R-free | 0.18700 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.636 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELX (C) |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.112 | 0.801 |
Number of reflections | 37977 | |
<I/σ(I)> | 23.7 | 3.7 |
Completeness [%] | 99.7 | 96.8 |
Redundancy | 14.8 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 298 | Protein (20mM HEPES pH7.5, 150mM NaCl, 5% glycerol, and 5mM DTT), Reservoir (MCSG2 #05 - 0.2 M Lithium Sulfate, 0.1 M CAPS:NaOH pH 10.5, 1.2 M NaH2PO4/0.8 M K2HPO4), Cryoprotection (33% Ethylene glycol), VAPOR DIFFUSION, SITTING DROP, temperature 298K |