6DQ3
Streptococcus pyogenes deacetylase PplD in complex with acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.2700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.160, 78.430, 138.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.694 - 1.780 |
R-factor | 0.1816 |
Rwork | 0.180 |
R-free | 0.21640 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.685 |
Data reduction software | XDS (VERSION Jan 26, 2018 BUILT=20180126) |
Data scaling software | XSCALE (VERSION Jan 26, 2018 BUILT=20180126) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (dev_3139) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.694 | 39.694 | 1.830 |
High resolution limit [Å] | 1.780 | 7.960 | 1.780 |
Rmerge | 0.065 | 0.018 | 1.126 |
Rmeas | 0.075 | 0.021 | 1.346 |
Number of reflections | 84146 | 945 | 6114 |
<I/σ(I)> | 13.04 | 53.31 | 1.09 |
Completeness [%] | 99.3 | 99.1 | 97.5 |
Redundancy | 3.781 | 3.902 | 3.295 |
CC(1/2) | 0.999 | 0.999 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2M Zn acetate, 0.1M imidazole pH 8.0, 20% PEG3350 |