8JBB

Crystal Structure of the Csm6 from Thermus thermophilus HB8 in complex with A2>p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-08-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	58.240, 75.120, 103.690
Unit cell angles	90.00, 95.95, 90.00

Refinement procedure

Resolution	29.680 - 1.810
R-factor	0.1974
Rwork	0.197
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.024
Data reduction software	HKL-2000
Data scaling software	HKL-2000 (1.20.1_4487)
Phasing software	MOLREP
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.720	1.860
High resolution limit [Å]	1.810	1.810
Number of reflections	80762	8016
<I/σ(I)>	9.9
Completeness [%]	99.5	99.43
Redundancy	6.1
CC(1/2)	0.997	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3350