6OS5

Crystal structure of CymD prenyltransferase complexed with L-tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	85.330, 86.330, 141.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.665 - 1.660
R-factor	0.1633
Rwork	0.163
R-free	0.19230
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]	86.330	86.330	1.690
High resolution limit [Å]	1.660	9.090	1.660
Rmerge	0.112	0.187	0.398
Rmeas	0.123	0.204	0.440
Rpim	0.051	0.080	0.184
Total number of observations	681939	5417	34015
Number of reflections	123383	882	6056
<I/σ(I)>	8.9	15.6	3.5
Completeness [%]	99.6	99.3	99.7
Redundancy	5.5	6.1	5.6
CC(1/2)	0.986	0.957	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	(0.04 M citric acid, 0.06 M bis-tris propane (pH 6.4)), 20% PEG 3350