6DKQ

Crystal structure of the Shr Hemoglobin Interacting Domain 2

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	2017-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	32.470, 59.140, 102.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.770 - 1.500
R-factor	0.198
Rwork	0.197
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS (Jun 1 2017)
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.770	19.770	1.540
High resolution limit [Å]	1.500	6.700	1.500
Rmerge	0.043	0.028	0.572
Rmeas	0.046	0.031	0.625
Number of reflections	32509	427	2342
<I/σ(I)>	23.2	53.05	3.12
Completeness [%]	99.7	100	98.4
Redundancy	6.343	5.752	6.18
CC(1/2)	0.999	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	295	50% PEG-400, 100mM sodium acetate, 0.2M lithium sulfate