6VL0

Crystal Structure of the N-prenyltransferase DabA in Complex with GSPP and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	124.237, 124.237, 114.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.991 - 2.200
R-factor	0.1779
Rwork	0.177
R-free	0.20270
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	AutoSol
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.951	2.207
High resolution limit [Å]	2.200	2.200
Rmerge	0.132	1.133
Rpim	0.046	0.397
Number of reflections	41688	466
<I/σ(I)>	15.8	3.1
Completeness [%]	90.9	100
Redundancy	9.4
CC(1/2)	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	282	1.5 M sodium citrate 0.05 M HEPES pH 7.5 4 mg/mL DabA was preincubated with 2 mM GSPP, 5 mM MnCl2, and 50 mM L-Glu