28SW

Structure of ASBT homologue from Leptospira biflexa in inward-facing form (Crystal Form 2)

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	2024-07-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.61991
Spacegroup name	I 1 2 1
Unit cell lengths	62.468, 67.095, 75.188
Unit cell angles	90.00, 91.04, 90.00

Refinement procedure

Resolution	47.620 - 2.920
R-factor	0.2426
Rwork	0.240
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.455
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620	3.220
High resolution limit [Å]	2.920	2.920
Rmerge	0.348	1.110
Rmeas	0.381	1.214
Rpim	0.154	0.487
Number of reflections	6831	1687
<I/σ(I)>	3.99	1.6
Completeness [%]	99.3
Redundancy	6
CC(1/2)	0.972	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.5	293	0.32M Lithium chloride 0.1M Sodium citrate pH 5.5, 14% w/vPEG 4000