5HQA

A Glycoside Hydrolase Family 97 enzyme in complex with Acarbose from Pseudoalteromonas sp. strain K8

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	2015-05-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	119.383, 119.383, 182.418
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.385 - 1.747
R-factor	0.1439
Rwork	0.143
R-free	0.16280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hq4
RMSD bond length	0.006
RMSD bond angle	0.868
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	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.102	0.048	0.457
Rmeas	0.108	0.051	0.480
Rpim	0.035	0.016	0.148
Total number of observations	1484919
Number of reflections	152213
<I/σ(I)>	9.8
Completeness [%]	99.9	99.7	100
Redundancy	9.8	9.7	10.4
CC(1/2)		0.998	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	283	0.1M Bis-Tris-HCl (pH 5.5), 0.3M magnesium formate dihydrate