9JT3

Crystal structure of AbxF

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	2023-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 43 21 2
Unit cell lengths	75.883, 75.883, 166.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.020 - 2.000
R-factor	0.1961
Rwork	0.194
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.866
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.060	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	0.433
Rmeas	0.087	0.447
Rpim	0.018	0.113
Total number of observations	723962	37600
Number of reflections	33722	2434
<I/σ(I)>	21	6.7
Completeness [%]	100.0
Redundancy	21.5	15.4
CC(1/2)	0.998	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	NaCl, Bistris, (NH4)2SO4