7X0Q

Crystal structure of ATPase Clo1313_2554 from Clostridium thermocellum

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	2020-05-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	104.390, 104.390, 167.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.907 - 2.900
R-factor	0.2281
Rwork	0.223
R-free	0.27580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d62
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.907	36.907	2.980
High resolution limit [Å]	2.900	12.970	2.900
Rmerge	0.068	0.046	0.617
Rmeas	0.073	0.051	0.665
Total number of observations	269550
Number of reflections	39211	432	2859
<I/σ(I)>	16.74	28.58	2.85
Completeness [%]	100.0	98	100
Redundancy	6.874	5.845	7.148
CC(1/2)	0.999	0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	291	100 mM acetate/acetic acid pH 4.4, 200 mM Li2SO4, 2 M sodium chloride