3O8S
Crystal structure of an ADP-ribose pyrophosphatase (SSU98_1448) from STREPTOCOCCUS SUIS 89-1591 at 2.27 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-08 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 64.780, 64.780, 108.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.970 - 2.270 |
R-factor | 0.1931 |
Rwork | 0.191 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | Rosetta |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.970 | 2.350 | |
High resolution limit [Å] | 2.270 | 4.870 | 2.270 |
Rmerge | 0.050 | 0.024 | 0.761 |
Number of reflections | 10944 | 1961 | 1982 |
<I/σ(I)> | 17.09 | 45.7 | 2.3 |
Completeness [%] | 97.7 | 94 | 98.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 50.0% ethylene glycol, 5.0% polyethylene glycol 1000, 0.1M sodium acetate pH 4.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |