4FG4

Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with hemithiocellodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2012-04-11
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 31
Unit cell lengths	58.039, 58.039, 146.801
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.777 - 2.701
R-factor	0.191
Rwork	0.188
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.195
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7.3_928)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.040	2.750
High resolution limit [Å]	2.700	2.970	2.700
Number of reflections	14815
Completeness [%]	97.3	99	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	EXLX1 was concentrated to 30 mg/ml in 25 mM HEPES pH 7.5 in the presence of 5 mM hemithiocellodextrin. Precipitant was 0.1 M sodium acetate pH 4.6, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K