6R2F

Crystal structure of TEX12 F102A F109E V116A in an alternative conformation

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	2019-01-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	I 21 21 21
Unit cell lengths	59.860, 104.510, 127.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.410 - 2.290
R-factor	0.239
Rwork	0.238
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ab initio models
RMSD bond length	0.007
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.410	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.134	1.419
Rmeas	0.144	1.525
Rpim	0.053	0.552
Number of reflections	18314	1770
<I/σ(I)>	8.7	1.6
Completeness [%]	99.6
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M lithum nitrate, 40 % MPD