5HQB

A Glycoside Hydrolase Family 97 enzyme (E480Q) in complex with Panose from Pseudoalteromonas sp. strain K8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-25
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	119.167, 119.167, 181.832
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.291 - 1.800
R-factor	0.1374
Rwork	0.137
R-free	0.15530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hq4
RMSD bond length	0.007
RMSD bond angle	0.853
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.109	0.065	0.594
Rmeas	0.119	0.072	0.650
Rpim	0.047	0.029	0.261
Total number of observations	838357
Number of reflections	137668
<I/σ(I)>	4.3
Completeness [%]	99.5	99.2	99
Redundancy	6.1	5.9	5.9
CC(1/2)		0.995	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	283	0.1M Bis-Tris-HCl (pH 6.5), 0.1M magnesium formate dihydrate