21IG

Crystal structure of terpeniod cyclase SpSODS from rhizobacterium Serratia plymuthica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-13
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 21 21 21
Unit cell lengths	68.124, 74.874, 142.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.130 - 2.220
R-factor	0.1745
Rwork	0.171
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.848
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.530	2.260
High resolution limit [Å]	2.220	2.220
Number of reflections	36781	1884
<I/σ(I)>	7.4	2
Completeness [%]	99.0
Redundancy	4.8
CC(1/2)	0.994	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	26% (w/v) Polyacrylic acid 5100, 0.1 M HEPES, pH 7.0