8Z3F

Complex structure of CIB2 and TMC1 CR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	109.177, 36.225, 63.496
Unit cell angles	90.00, 98.87, 90.00

Refinement procedure

Resolution	25.520 - 1.740
R-factor	0.1785
Rwork	0.177
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.096
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.126		0.684
Rmeas	0.142
Rpim	0.063
Number of reflections	25075	1323	1210
<I/σ(I)>	3.8
Completeness [%]	98.6		98.5
Redundancy	4.9		4.8
CC(1/2)		0.993	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	2-Proranol, MES monohydrate Ph 6.0, PEG monomethyl ether 2000