8IAN

Crystal structure of CtPL-H210S/F214I mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-31
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 32 2 1
Unit cell lengths	115.356, 115.356, 94.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.790 - 2.080
R-factor	0.20289
Rwork	0.200
R-free	0.25426
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cwq
RMSD bond length	0.009
RMSD bond angle	1.595
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.790	2.110
High resolution limit [Å]	2.080	2.080
Rmerge	0.138	0.593
Number of reflections	44073	1813
<I/σ(I)>	9.86	2.04
Completeness [%]	100.0	100
Redundancy	8.49	6.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M potassium bromide; 33% w/v PEG 2000 MME