8W1D

CRYSTAL STRUCTURE OF DPS-LIKE PROTEIN PA4880 FROM PSEUDOMONAS AERUGINOSA (DIMERIC FORM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9201
Spacegroup name	C 1 2 1
Unit cell lengths	57.938, 44.580, 51.468
Unit cell angles	90.00, 96.97, 90.00

Refinement procedure

Resolution	28.760 - 1.300
R-factor	0.1468
Rwork	0.145
R-free	0.17900
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.922
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	PHENIX ((1.18rc4_3812: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.760	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.083	1.180
Rmeas	0.088	1.253
Rpim	0.027	0.419
Total number of observations	327050	13991
Number of reflections	32140	1585
<I/σ(I)>	12.3	1.5
Completeness [%]	100.0
Redundancy	10.2	8.8
CC(1/2)	0.997	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	Proplex D5: 8% (w/v) PEG 6,000, 100 mM MES pH 6.0, 100 mM MgCl2