5HQ4

A Glycoside Hydrolase Family 97 enzyme 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	2015-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	119.545, 119.545, 182.757
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.494 - 1.926
R-factor	0.1444
Rwork	0.144
R-free	0.15960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d73
RMSD bond length	0.007
RMSD bond angle	0.824
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	2.000
High resolution limit [Å]	1.930	4.160	1.930
Rmerge	0.096	0.043	0.471
Rmeas	0.110	0.049	0.535
Rpim	0.053	0.023	0.251
Total number of observations	496619
Number of reflections	113895
<I/σ(I)>	8.9
Completeness [%]	99.5	98.3	99.9
Redundancy	4.4	4.5	4.5
CC(1/2)		0.997	0.830

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