6M6L

The crystal structure of glycosidase hydrolyzing Notoginsenoside

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	2018-10-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	52.608, 95.571, 93.348
Unit cell angles	90.00, 90.65, 90.00

Refinement procedure

Resolution	35.371 - 1.500
R-factor	0.151
Rwork	0.150
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ta9
RMSD bond length	0.006
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.500
High resolution limit [Å]	1.490	1.490
Number of reflections	147102	147102
<I/σ(I)>	29.5
Completeness [%]	96.9
Redundancy	3.8
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.1 M Sodium citrate tribasic dehydrate (pH 5.6), 0.2 M ammonium acetate and PEG 4000 (30%, w/v)