9M25

Type I diterpene synthase from Streptomyces

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	38.288, 110.256, 156.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.510 - 2.500
R-factor	0.2156
Rwork	0.211
R-free	0.29660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.732
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.189	0.572
Number of reflections	22719	2278
<I/σ(I)>	14.4	4.8
Completeness [%]	98.2	97.4
Redundancy	8	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	289	0.2M Ammonium citrate tribasic pH 6.4, 20% (w/v) PEG 3350