6LCC

Crystal structure of AaTPS apo

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	2018-02-10
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	70.160, 115.509, 149.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.796 - 2.600
R-factor	0.1935
Rwork	0.191
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oa6
Data reduction software	Aimless
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.796	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.078	0.639
Number of reflections	38215	4595
<I/σ(I)>	14.8	2.7
Completeness [%]	100.0
Redundancy	5.7
CC(1/2)	0.998	0.818

Crystallization Conditions

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