8JGW
Crystal structure of Klebsiella pneumoniae 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 | PIXEL |
Collection date | 2019-04-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.800, 97.080, 144.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.670 - 1.800 |
R-factor | 0.1843 |
Rwork | 0.183 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.803 |
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 | 1.840 |
High resolution limit [Å] | 1.800 | 8.030 | 1.800 |
Rmerge | 0.055 | 0.035 | 0.541 |
Rmeas | 0.060 | 0.039 | 0.585 |
Number of reflections | 113613 | 1386 | 7878 |
<I/σ(I)> | 16.48 | ||
Completeness [%] | 99.5 | ||
Redundancy | 6.64 | ||
CC(1/2) | 0.999 | 0.997 | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | KCl, HEPES, Pentaerythritol propoxylate |