7LRN

Structure of the Siderophore Interacting Protein from Acinetbacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979100
Spacegroup name	C 2 2 21
Unit cell lengths	86.790, 127.252, 150.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.150 - 2.850
R-factor	0.2205
Rwork	0.218
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gpj
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	BALBES
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	150.300	150.300	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge	0.177	0.049	2.467
Rmeas	0.191	0.054	2.652
Rpim	0.070	0.020	0.963
Total number of observations	145243	4646	21131
Number of reflections	19818	699	2832
<I/σ(I)>	7.6	24.9	0.8
Completeness [%]	100.0	99.8	100
Redundancy	7.3	6.6	7.5
CC(1/2)	0.997	0.999	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	1.6 M ammonium sulfate, 0.1 M NaCl, 5 % PEG 400, and 0.1 M HEPES-Na pH 7.5 at 17.5 mg/mL of BauF.