6L6W

The structure of ScoE with intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 42
Unit cell lengths	96.890, 96.890, 69.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.260 - 2.170
R-factor	0.1629
Rwork	0.162
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dch
RMSD bond length	0.009
RMSD bond angle	0.919
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.260	2.230
High resolution limit [Å]	2.170	2.170
Number of reflections	34177	2499
<I/σ(I)>	16.2
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.999	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02M of each carboxylic acid (Carboxylic acids: 0.2M sodium formate, 0.2M ammonium acetate, 0.2M trisodium citrate, 0.2M sodium potassium tartrate, 0.2 sodium oxamate), 0.1M bicine/Trizma base (pH 8.5)