9B9M

Crystal structure of iron-bound FlcD from Pseudomonas aeruginosa

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	2021-12-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 1 21 1
Unit cell lengths	71.941, 114.061, 103.952
Unit cell angles	90.00, 102.54, 90.00

Refinement procedure

Resolution	29.350 - 2.070
R-factor	0.2003
Rwork	0.200
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.270
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.350	2.144
High resolution limit [Å]	2.070	2.070
Rmerge	0.052	0.451
Rmeas	0.074	0.638
Rpim	0.052	0.451
Number of reflections	99235	9909
<I/σ(I)>	9.7	1.64
Completeness [%]	99.2	99.97
Redundancy	2	2
CC(1/2)	0.997	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.5, 0.2 M MgCl2, 25% PEG 3350