9DHE

The crystal structure on the heme/hemoglobin transporter ChuA, in complex with heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	78.200, 116.112, 123.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 3.200
R-factor	0.253
Rwork	0.251
R-free	0.29920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.647
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.187	3.670
Rpim	0.065	1.286
Number of reflections	28374	4040
<I/σ(I)>	8.9
Completeness [%]	99.9
Redundancy	10
CC(1/2)	0.999	0.442

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20 % PEG 1500, 0.1 M MIB Buffer