9B9N

Crystal structure of FlcD from Pseudomonas aeruginosa bound 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)	0.9201
Spacegroup name	C 1 2 1
Unit cell lengths	124.953, 55.865, 96.462
Unit cell angles	90.00, 96.88, 90.00

Refinement procedure

Resolution	28.630 - 2.280
R-factor	0.208
Rwork	0.205
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.596
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]	28.630	2.365
High resolution limit [Å]	2.280	2.280
Rmerge	0.047	0.491
Rmeas	0.067	0.695
Rpim	0.047	0.491
Number of reflections	30091	2896
<I/σ(I)>	9.5	1.53
Completeness [%]	99.3	96.24
Redundancy	2	1.9
CC(1/2)	0.997	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium sulfate, 0.1 M Tris HCl pH 8.5, 25 % (w/v) PEG 3350