8RG5

Crystal structure of PbFucA from Planctomycetes bacterium K23_9 in P 4 21 2

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)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	139.295, 139.295, 104.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.850 - 2.180
R-factor	0.2052
Rwork	0.203
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.975
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]	29.850	2.260
High resolution limit [Å]	2.180	2.180
Rmerge	0.150
Rmeas	0.150
Number of reflections	54279	5322
<I/σ(I)>	20.91
Completeness [%]	99.9
Redundancy	27
CC(1/2)	0.900	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Microseeding of PbFucA-1 Molecular Dimensions (0.12 M alcohols, 0.1 M buffer system 3 pH 8.5, 30% v/v precipitant mix 2)