6GP5

Beta-1,4-galactanase from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2015-06-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	47.213, 44.681, 137.546
Unit cell angles	90.00, 99.38, 90.00

Refinement procedure

Resolution	46.583 - 1.930
R-factor	0.176
Rwork	0.173
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SCWRL4 model was made from 1FHL 1hjq 4bf7 1hjs
RMSD bond length	0.010
RMSD bond angle	1.356
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.583	46.580	1.980
High resolution limit [Å]	1.930	9.600	1.930
Rmerge	0.073	0.015	0.324
Rmeas	0.090	0.018	0.409
Rpim	0.053	0.011	0.247
Number of reflections	40545	433	2339
<I/σ(I)>	14
Completeness [%]	94.8	94.7	81.1
Redundancy	2.7	2.5	2.4
CC(1/2)	0.997	1.000	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	22% PEG6000, 200 mM NH4Cl, MES pH 6.0