6HK9

Crystal structure of TEX12 F102A F109E V116A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9790
Spacegroup name	C 2 2 21
Unit cell lengths	43.233, 219.712, 37.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.971 - 1.454
R-factor	0.1808
Rwork	0.179
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Quark decoys
RMSD bond length	0.008
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AMPLE
Refinement software	PHENIX ((dev_3126: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.930	1.480
High resolution limit [Å]	1.450	1.450
Rmeas	0.044	0.472
Rpim	0.017	0.170
Number of reflections	59176
<I/σ(I)>	20.3	2.6
Completeness [%]	98.1	96.6
Redundancy	7.1
CC(1/2)	0.999	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM Calcium acetate, 40% MPD