6ZQ3

Crystal Structure of Silicatein Alpha from Marine Sponge Tethya aurantium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	59.600, 59.600, 116.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.180 - 2.400
R-factor	0.2436
Rwork	0.240
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 2VHS
RMSD bond length	0.011
RMSD bond angle	1.367
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.8.0)
Phasing software	MOLREP (6.4.0)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.500	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	9827	973
<I/σ(I)>	6.1
Completeness [%]	100.0
Redundancy	159
CC(1/2)	0.910	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		298	in vivo