8RG3

Crystal structure of PbFucA from Planctomycetes bacterium K23_9 in P 1 21 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	91.841, 81.897, 160.310
Unit cell angles	90.00, 95.49, 90.00

Refinement procedure

Resolution	91.420 - 2.500
R-factor	0.2044
Rwork	0.203
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.191
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]	91.420	91.420
High resolution limit [Å]	2.500	2.500
Rmerge	0.138	0.138
Rmeas	0.154
Number of reflections	460909	460909
<I/σ(I)>	12.23
Completeness [%]	99.9
Redundancy	5.6
CC(1/2)	0.994	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM HEPES pH 7.5 10% w/v PEG 8000