9ILO

Crystal structure of CTB10-M4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-29
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	F 2 2 2
Unit cell lengths	121.181, 121.186, 160.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.330 - 2.210
R-factor	0.19
Rwork	0.189
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9iku
RMSD bond length	0.007
RMSD bond angle	0.932
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.113	0.729
Rmeas	0.128	0.867
Rpim	0.059	0.463
Number of reflections	29186	2581
<I/σ(I)>	13.46	1.59
Completeness [%]	98.0	88.39
Redundancy	4.6	3.3
CC(1/2)	0.997	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M (NH4)2OAc, 1.9 M (NH4)2SO4, 4% isopropanol