8JGP
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2017-11-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 |
Unit cell lengths | 168.250, 168.250, 39.840 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.140 - 3.020 |
R-factor | 0.2667 |
Rwork | 0.264 |
R-free | 0.31700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.090 |
High resolution limit [Å] | 3.020 | 13.490 | 3.020 |
Rmerge | 0.090 | 0.037 | 0.393 |
Rmeas | 0.106 | 0.045 | 0.474 |
Number of reflections | 12294 | 145 | 885 |
<I/σ(I)> | 8.75 | ||
Completeness [%] | 93.6 | ||
Redundancy | 3.5 | ||
CC(1/2) | 0.995 | 0.996 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | NaAc, NH4SO4, polyp, Mn2+ |