8JGR
Crystal structure of Deinococcus radiodurans exopolyphosphatase in the presence of Pi
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 | 2020-05-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 |
Unit cell lengths | 165.010, 165.010, 39.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.580 - 2.500 |
R-factor | 0.2215 |
Rwork | 0.220 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.869 |
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 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.062 | 0.037 | 0.548 |
Rmeas | 0.067 | 0.040 | 0.590 |
Number of reflections | 20449 | 214 | 1532 |
<I/σ(I)> | 17.76 | ||
Completeness [%] | 94.4 | ||
Redundancy | 5.94 | ||
CC(1/2) | 0.999 | 0.999 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | NaH2PO4, K2HPO4 |