8PE3

Structure of Csm6' from Streptococcus thermophilus in complex with cyclic hexa-adenylate (cA6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-06-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	99.906, 99.906, 286.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.340 - 1.960
R-factor	0.1996
Rwork	0.198
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.870
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.330	2.200
High resolution limit [Å]	1.960	1.960
Rmerge	0.096	1.352
Rmeas	0.100	1.405
Rpim	0.028	0.382
Number of reflections	57416	2872
<I/σ(I)>	14.8
Completeness [%]	95.1	85.8
Redundancy	13.1	13.3
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.85 M sodium malonate and 5 % ethanol