6AJM

Crystal structure of apo AtaTR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98000
Spacegroup name	P 21 21 2
Unit cell lengths	101.090, 116.420, 77.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.957 - 2.604
R-factor	0.2158
Rwork	0.213
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xun
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.957	19.957	2.670
High resolution limit [Å]	2.600	11.650	2.600
Rmerge	0.141	0.048	2.105
Rmeas	0.147	0.051	2.187
Number of reflections	28632	369	2057
<I/σ(I)>	13.87	38.18	1.34
Completeness [%]	99.8	97.6	98
Redundancy	13.108	10.049	13.465
CC(1/2)	0.998	0.998	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	293	100 mM Tris-HCl pH 8.6, 16% PEG3350, 2% Tacsimate