7EO3

X-ray structure analysis of beita-1,3-glucanase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	60.397, 61.010, 70.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.920 - 1.141
R-factor	0.1443
Rwork	0.143
R-free	0.16180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dgt
RMSD bond length	0.005
RMSD bond angle	0.942
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.160
High resolution limit [Å]	1.140	3.090	1.140
Rmerge	0.143	0.106	0.865
Rmeas	0.150	0.111	0.924
Rpim	0.042	0.032	0.320
Total number of observations	1099159
Number of reflections	95197	5042	4703
<I/σ(I)>	4.6
Completeness [%]	100.0	99.1	100
Redundancy	11.5	11.9	8.3
CC(1/2)		0.991	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, Magnesium chloride, Bis-tris