8RG4

Crystal structure of PbFucA from Planctomycetes bacterium K23_9 in P 21 21 21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	50.983, 84.868, 90.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.989 - 1.404
R-factor	0.144
Rwork	0.143
R-free	0.16410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.989	1.454
High resolution limit [Å]	1.404	1.404
Rmerge	0.079	0.079
Rmeas	0.082
Number of reflections	76431	76431
<I/σ(I)>	19.63
Completeness [%]	99.0	99.02
Redundancy	13.2	13.2
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Microseeding of PbFucA-1 0.12 M ethylene glycols, 0.1 M buffer system 2 pH 7.5, 30% v/v precipitant mix 2