9F0N

Crystal structure of Ta_Cel5A E133A variant, apoform

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	76.560, 84.920, 89.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.510 - 1.180
R-factor	0.1492
Rwork	0.149
R-free	0.15910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.003
Data reduction software	XDS (20220220)
Data scaling software	XSCALE (20220220)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21-5207-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.960	47.960	1.210
High resolution limit [Å]	1.180	5.270	1.180
Rmerge	0.180	0.037	1.814
Rmeas	0.187	0.039	1.915
Number of reflections	190898	2360	13676
<I/σ(I)>	15.79
Completeness [%]	99.8
Redundancy	12.2
CC(1/2)	0.999	0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Reservoir solution: 0.1 M Tris pH 6.0, 1.3 M ammonium sulfate. Drop: 2 ul of 430 uM protein, 2 ul of reservoir solution, 0.2 ul of microseeds