8H97

GH86 agarase Aga86A_Wa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-16
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	76.599, 90.672, 106.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.299 - 2.194
R-factor	0.1568
Rwork	0.154
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ta1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.190	5.970	2.200
Rmerge	0.125	0.049	0.861
Rmeas	0.136	0.053	0.941
Rpim	0.054	0.020	0.375
Number of reflections	52098	2093	1881
<I/σ(I)>	5
Completeness [%]	99.9	99.9	99.8
Redundancy	6.2	6.7	6
CC(1/2)		0.997	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	24% PEG 6000, 0.1 M Tris buffer, pH 8.6