8JGO
Crystal structure of Deinococcus radiodurans exopolyphosphatase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2017-07-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 |
Unit cell lengths | 167.070, 167.070, 39.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.120 - 1.900 |
R-factor | 0.2326 |
Rwork | 0.231 |
R-free | 0.25450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.831 |
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 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.060 | 0.036 | 0.367 |
Rmeas | 0.067 | 0.041 | 0.410 |
Number of reflections | 49224 | 255 | 3538 |
<I/σ(I)> | 16.19 | ||
Completeness [%] | 98.0 | ||
Redundancy | 5.34 | ||
CC(1/2) | 0.999 | 0.996 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | NaAc, NH4SO4 |