8KIH

PhmA, a type I diterpene synthase without NST/DTE motif

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97851
Spacegroup name	P 64
Unit cell lengths	106.549, 106.549, 55.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.880 - 2.000
R-factor	0.1962
Rwork	0.193
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.027
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.440	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.121	0.797
Rmeas	0.124	0.821
Rpim	0.028	0.196
Total number of observations	634671	34274
Number of reflections	33385	1975
<I/σ(I)>	17.4	3.8
Completeness [%]	100.0
Redundancy	19	17.4
CC(1/2)	0.998	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291.15	1.6 M Ammonium sulfate, 0.1 M Sodium chloride, 0.1 M Sodium HEPES pH 7.5