5CLT

Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	C 2 2 21
Unit cell lengths	116.760, 163.990, 311.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.380 - 2.790
R-factor	0.196
Rwork	0.194
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzy
RMSD bond length	0.009
RMSD bond angle	1.253
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.560	72.560	2.860
High resolution limit [Å]	2.790	12.480	2.790
Rmerge	0.118	0.039	0.697
Rpim	0.069	0.023	0.402
Total number of observations	279440	3138	20835
Number of reflections	74282
<I/σ(I)>	10	29.2	2.1
Completeness [%]	99.7	97.3	99.7
Redundancy	3.8	3.5	3.8
CC(1/2)	0.992	0.996	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M sodium formate , 3% PEG 3350