8PCW

Structure of Csm6' from Streptococcus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	77
Detector technology	PIXEL
Collection date	2019-10-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97901
Spacegroup name	P 21 21 21
Unit cell lengths	88.646, 104.138, 144.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.520 - 3.540
R-factor	0.34359
Rwork	0.341
R-free	0.38745
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.226
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.520	3.630
High resolution limit [Å]	3.540	3.540
Rmerge	0.090	1.340
Number of reflections	15935	1035
<I/σ(I)>	9.4	1.3
Completeness [%]	95.2	85.5
Redundancy	3.8	3.4
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.95 M sodium citrate, 0.18 M sodium bromide and 0.1 M HEPES, pH 8