9B9O

Crystal structure of FlcD from Pseudomonas aeruginosa bond to iron(II) and substrate

This is a non-PDB format compatible entry.

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)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	124.991, 55.849, 96.558
Unit cell angles	90.00, 96.80, 90.00

Refinement procedure

Resolution	28.620 - 2.160
R-factor	0.1964
Rwork	0.194
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.402
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]	28.620	2.238
High resolution limit [Å]	2.160	2.160
Rmerge	0.044	0.548
Rmeas	0.062	0.775
Rpim	0.044	0.548
Number of reflections	35471	3373
<I/σ(I)>	9.85	1.34
Completeness [%]	99.1	94.83
Redundancy	1.9	1.9
CC(1/2)	0.997	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium chloride, 0.1 M sodium phosphate dibasic, citric acid pH 4.2, 20 % (w/v) PEG 8000