8A60

Crystal structure of FhuA in complex with the superinfection exclusion lipoprotein Llp

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	98.287, 98.287, 236.588
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.850 - 3.370
R-factor	0.2558
Rwork	0.253
R-free	0.30740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1by3
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.20rc3_4406: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.110	3.610
High resolution limit [Å]	3.370	3.370
Number of reflections	15120	697
<I/σ(I)>	9.2	1.7
Completeness [%]	87.4	48
Redundancy	14.4
CC(1/2)	0.990	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	12-16% PEG 4000 0.4 M sodium isothiocyanate 0.1 M sodium acetate