8JGT
Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant
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 | 2019-12-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 |
Unit cell lengths | 164.940, 164.940, 39.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.990 - 2.200 |
R-factor | 0.2388 |
Rwork | 0.238 |
R-free | 0.25690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.976 |
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 | 2.250 |
High resolution limit [Å] | 2.200 | 9.820 | 2.200 |
Rmerge | 0.072 | 0.027 | 0.244 |
Rmeas | 0.080 | 0.031 | 0.282 |
Number of reflections | 30968 | 351 | 1993 |
<I/σ(I)> | 21.72 | ||
Completeness [%] | 97.5 | ||
Redundancy | 5.38 | ||
CC(1/2) | 0.999 | 0.999 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | NaAc, NH4SO4 |