8IBI

Inactive mutant of CtPL-H210S/F214I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-14
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 21 21 2
Unit cell lengths	65.316, 153.881, 52.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.320 - 2.140
R-factor	0.17166
Rwork	0.169
R-free	0.22073
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cwq
RMSD bond length	0.009
RMSD bond angle	1.610
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]	36.320	2.170
High resolution limit [Å]	2.140	2.140
Rmerge	0.116	0.368
Number of reflections	30315	1224
<I/σ(I)>	12.52	3.79
Completeness [%]	99.9
Redundancy	9.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% PEG 2000 MME, 0.2 M ammonium citrate tribasic pH7.0, 0.1 M imidazole pH7.0