7XC5

Crystal structure of the ANK domain of CLPB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	87.160, 67.680, 30.310
Unit cell angles	90.00, 104.18, 90.00

Refinement procedure

Resolution	33.840 - 2.100
R-factor	0.2074
Rwork	0.206
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.840	33.840	2.040
High resolution limit [Å]	1.990	8.900	1.990
Rmerge	0.058	0.025	0.623
Rmeas	0.070	0.030	0.739
Rpim	0.038	0.017	0.395
Total number of observations	38740	425	2903
Number of reflections	11694	141	860
<I/σ(I)>	11.2	30.6	1.9
Completeness [%]	99.4	96.2	99.5
Redundancy	3.3	3	3.4
CC(1/2)	0.998	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.8	289	PEG 3350