6VL1

Crystal Structure of the N-prenyltransferase DabA in Complex with NGG and Mg2+

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	2018-09-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	123.425, 123.425, 113.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.714 - 2.100
R-factor	0.1768
Rwork	0.176
R-free	0.19510
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]	49.614	2.107
High resolution limit [Å]	2.100	2.100
Rmerge	0.123	0.898
Rpim	0.029	0.200
Number of reflections	51507	486
<I/σ(I)>	22.7	6.6
Completeness [%]	100.0	100
Redundancy	19
CC(1/2)	0.998	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	282	1.35 M sodium citrate tribasic 0.05 M HEPES pH 7.5 DabA (8 mg/mL) was preincubated with 5mM MgCl2 and 2 mM NGG