7Y87

class I diterpene synthase mutant (CyS-C59A) from Streptomyces cattleya

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-29
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	F 2 2 2
Unit cell lengths	100.284, 112.628, 137.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.300 - 2.300
R-factor	0.1924
Rwork	0.188
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y50
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.096	0.260
Number of reflections	98052	17379
<I/σ(I)>	18.3
Completeness [%]	99.5
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	289	0.49 M Sodium phosphate monobasic monohydrate, 0.91 M Potassium phosphate dibasic, pH 6.9