7RED

Holo Hemophilin from A. baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	105
Detector technology	CCD
Collection date	2016-07-19
Detector	RAYONIX MX-300
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	50.900, 59.550, 63.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.692 - 1.530
R-factor	0.1486
Rwork	0.148
R-free	0.16690
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.692	1.585
High resolution limit [Å]	1.530	1.530
Number of reflections	29892	2914
<I/σ(I)>	31.93
Completeness [%]	100.0
Redundancy	14.4
CC(1/2)	1.000	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.15	293	100 mM sodium acetate pH 4.15, 3.25 M sodium formate