8W1Q

Aerobic crystal structure of iron-bound FlcD from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	52.461, 83.551, 68.829
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	31.570 - 1.560
R-factor	0.1766
Rwork	0.176
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.825
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.570	1.616
High resolution limit [Å]	1.560	1.560
Rmerge	0.097	0.495
Rmeas	0.117	0.624
Rpim	0.064	0.373
Number of reflections	79607	7453
<I/σ(I)>	6.46	1.32
Completeness [%]	95.2	89.23
Redundancy	3	2.4
CC(1/2)	0.992	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M magnesium chloride, 20% w/v PEG 3350