5Z87

Structural of a novel b-glucosidase EmGH1 at 2.3 angstrom from Erythrobacter marinus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-15
Detector	RAYONIX MX325HE
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	86.640, 132.150, 194.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.320 - 2.300
R-factor	0.1642
Rwork	0.162
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u48
RMSD bond length	0.007
RMSD bond angle	0.857
Data reduction software	CrystalClear
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmeas	0.138	0.753
Rpim	0.037	0.200
Number of reflections	99834	4956
<I/σ(I)>	22.7	3.87
Completeness [%]	99.9	100
Redundancy	14	14.1
CC(1/2)		0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15% PEG 3350, 0.05M magnesium acetate, 2% benzamidine hydrochloride