6LCD

Crystal structure of AaTPS with PPi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	70.492, 113.688, 149.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.747 - 2.700
R-factor	0.2329
Rwork	0.230
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lcc
Data reduction software	Aimless
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.747	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.084	0.792
Number of reflections	33446	4408
<I/σ(I)>	8.2	1.1
Completeness [%]	99.0	99.3
Redundancy	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	ammonium formate, HEPES