8I98

Crystal structure of TePixD Y8F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91973
Spacegroup name	P 1 21 1
Unit cell lengths	82.273, 162.042, 135.873
Unit cell angles	90.00, 92.60, 90.00

Refinement procedure

Resolution	35.880 - 2.540
R-factor	0.206
Rwork	0.203
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.636
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.880	2.631
High resolution limit [Å]	2.540	2.540
Number of reflections	115138	11342
<I/σ(I)>	8.9
Completeness [%]	98.6
Redundancy	6.2	5.9
CC(1/2)	0.992	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	30% (v/v) 2-Methyl-2,4-pentanediol (MPD), 100 mM Sodium acetate/Hydrochloric acid, pH 4.6, 20 mM Calcium chloride