7LI1

Crystal structure of holo Moraxella catarrhalis ferric binding protein A in an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-26
Detector	RAYONIX MX300HE
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	62.130, 67.560, 73.770
Unit cell angles	91.02, 92.26, 105.02

Refinement procedure

Resolution	29.710 - 1.750
Rwork	0.231
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7li0
RMSD bond length	0.006
RMSD bond angle	0.744
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.710	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.023	1.010
Number of reflections	110222	10935
<I/σ(I)>	16.74	0.83
Completeness [%]	94.3	93.44
Redundancy	2	2
CC(1/2)	1.000	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M lithium sulfate monohydrate, 0.1 M HEPES pH 7.5, 30% v/v polyethylene glycol 3350