9W6Z

CTB10-M40BpA-M86I-(R)-3n complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	39.803, 89.239, 166.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.850 - 2.240
R-factor	0.1969
Rwork	0.194
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.965
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.850	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.174	0.775
Rmeas	0.182	0.822
Rpim	0.053	0.271
Number of reflections	29349	2868
<I/σ(I)>	9.37	1.85
Completeness [%]	99.5	99.65
Redundancy	11.5	9.1
CC(1/2)	0.996	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% isopropanol, 0.1 M MES pH 6.0, 24% PEG 3350