8AAQ

Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP), CRT-416 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-19
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	C 2 2 21
Unit cell lengths	62.119, 66.445, 120.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.130 - 1.800
R-factor	0.1944
Rwork	0.193
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ztq
RMSD bond length	0.018
RMSD bond angle	2.544
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.130	60.130	1.840
High resolution limit [Å]	1.800	8.990	1.800
Rmerge	0.083	0.027	0.909
Rmeas	0.090	0.031	1.023
Rpim	0.033	0.015	0.451
Total number of observations	170679	760	4487
Number of reflections	22589	203	981
<I/σ(I)>	17.1	35.3	1.6
Completeness [%]	96.0	92.1	71.2
Redundancy	7.6	3.7	4.6
CC(1/2)	0.991	0.999	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.5 M Sodium citrate tribasic dihydrate, 0.1 M BIS-TRIS propane pH 7.0