5D0F

Crystal Structure of the Candida Glabrata Glycogen Debranching Enzyme (E564Q) in complex with maltopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	158.070, 202.010, 135.240
Unit cell angles	90.00, 101.32, 90.00

Refinement procedure

Resolution	49.053 - 3.300
R-factor	0.1941
Rwork	0.192
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d06
RMSD bond length	0.016
RMSD bond angle	2.021
Data reduction software	MOSFLM (7.2.0)
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP (11.2.08)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	132.609	49.053	3.480
High resolution limit [Å]	3.300	10.440	3.300
Rmerge		0.029	0.488
Rmeas	0.108	0.036	0.596
Rpim	0.059	0.020	0.335
Total number of observations	187312	6441	24625
Number of reflections	59857
<I/σ(I)>	8.5	23.1	2.1
Completeness [%]	96.1	93.3	94.8
Redundancy	3.1	3.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	10% PEG 5000 MME, 0.1 M Hepes, 5% tacsimate pH 7.0