6OS3

Crystal structure of native CymD prenyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.91950
Spacegroup name	I 4
Unit cell lengths	157.690, 157.690, 56.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.750 - 1.700
R-factor	0.1677
Rwork	0.167
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6os6
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.750	55.750	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.232	0.114	1.118
Rmeas	0.240	0.118	1.154
Rpim	0.060	0.029	0.284
Total number of observations	1209693	9464	64095
Number of reflections	76243	568	4005
<I/σ(I)>	8	19.1	2.9
Completeness [%]	99.9	99.8	100
Redundancy	15.9	16.7	16
CC(1/2)	0.994	0.993	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	4% 2-propanol, 0.1 M bis-tris propane (pH 9.0), 20% PEG monomethyl ether 5000