8OYF

Crystal structure of ASBTNM in lipidic cubic phase without substrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	49.479, 80.609, 86.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.960 - 2.100
R-factor	0.2129
Rwork	0.211
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.528
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.000	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.136	0.854
Rmeas	0.147	0.920
Rpim	0.054	0.332
Number of reflections	20744	14741
<I/σ(I)>	6.68	1.98
Completeness [%]	99.4	99.3
Redundancy	7.1	7.3
CC(1/2)	0.957	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	0.1M Sodium Chloride, 0.1M Hepes pH 7.0, 30% PEG 300