5V1W

Crystal structure of BhGH81 in complex with laminaro-biose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	P 21 21 21
Unit cell lengths	65.547, 93.854, 159.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.850 - 2.150
R-factor	0.189
Rwork	0.187
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t4a
RMSD bond length	0.010
RMSD bond angle	1.279
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.850	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.171	0.561
Rpim	0.084	0.326
Number of reflections	54002
<I/σ(I)>	7.8	2.2
Completeness [%]	99.5	97.3
Redundancy	3.8	3.4
CC(1/2)		0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	291	1.2 M NaH2PO4, 0.2 M K2HPO4, 0.1 M citric acid