8JGU
Crystal structure of N-terminal domain of exopolyphosphatase from Deinococcus radiodurans
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 | 2018-07-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 64 |
Unit cell lengths | 101.410, 101.410, 49.260 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.270 - 1.990 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.824 |
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 | 2.040 |
High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
Rmerge | 0.109 | 0.046 | 0.570 |
Rmeas | 0.120 | 0.049 | 0.626 |
Number of reflections | 19639 | 233 | 1410 |
<I/σ(I)> | 17.2 | ||
Completeness [%] | 98.0 | ||
Redundancy | 7.05 | ||
CC(1/2) | 0.993 | 0.996 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | NaAc |