6JOW

Exo-beta-D-glucosaminidase from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	173
Detector technology	CCD
Collection date	2016-04-21
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	85.130, 149.597, 147.315
Unit cell angles	90.00, 102.07, 90.00

Refinement procedure

Resolution	30.000 - 1.750
R-factor	0.15161
Rwork	0.148
R-free	0.21995
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gsm
RMSD bond length	0.014
RMSD bond angle	1.862
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.091	0.062	0.444
Rmeas	0.100	0.066	0.523
Rpim	0.038	0.023	0.270
Number of reflections	356244	18303	17344
<I/σ(I)>	10.9
Completeness [%]	98.4	99.7	96
Redundancy	5.2	7.7	3.2
CC(1/2)		0.996	0.170

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	30% MPD, 100 mM Tris pH 8.5, 500 mM Sodium chloride, 8% PEG 8000