6CIU

Structure of a Thr-rich interface in an Azami Green tetramer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	70.505, 86.184, 141.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.640 - 1.700
R-factor	0.16656
Rwork	0.165
R-free	0.20509
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3adf
RMSD bond length	0.027
RMSD bond angle	2.469
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.640	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	91590
<I/σ(I)>	16
Completeness [%]	97.1
Redundancy	2.6
CC(1/2)	0.998	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Magnesium chloride hexahydrate, 100 mM Tris pH 8.5, 25% w/v PEG 3350