9QPK

E.coli TalB mutant E96Q, F178Y, R300E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976246
Spacegroup name	C 1 2 1
Unit cell lengths	156.713, 56.412, 153.746
Unit cell angles	90.00, 104.22, 90.00

Refinement procedure

Resolution	75.960 - 2.360
R-factor	0.2283
Rwork	0.226
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.478
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.960	2.440
High resolution limit [Å]	2.360	2.360
Rmerge	0.048
Rmeas	0.052
Rpim	0.020
Number of reflections	51213	5251
<I/σ(I)>	6.502
Completeness [%]	94.1
Redundancy	7
CC(1/2)	0.992	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Crystallization drops were set up using the sitting drop vapor diffusion method with a mosquito crystallization robot from SPT lab tech. Plate shaped crystals grew over a few days at 295 K in a 200 nl drop containing 1:1 protein to crystallization buffer 0.2 M NaCl and 20 % (w/v) PEG3350 (condition A6 from PEG/Ion screen (Hampton Research)) to which 30 nl diluted seed stock had been added. The seed stock was prepared from microcrystals grown in a drop from the SG1 (Shotgun) screen (Molecular Dimensions) condition B12 (magnesium formate dihydrate and 20 % (w/v) PEG3350) (200826 plate PI seeding A6).