8KI5

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97919
Spacegroup name	P 64
Unit cell lengths	105.900, 105.900, 54.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.230 - 2.010
R-factor	0.1858
Rwork	0.182
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.224
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.380	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.071
Number of reflections	23328	1705
<I/σ(I)>	22.7
Completeness [%]	99.9
Redundancy	20
CC(1/2)	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	295.15	1.0 M Lithium sulfate, 0.1 M Sodium citrate pH 5.6, 0.5 M Ammonium sulfate