6VKZ

Crystal Structure of the N-prenyltransferase DabA in Complex with GSPP 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	2019-08-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	124.286, 124.286, 114.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.100 - 2.100
R-factor	0.1674
Rwork	0.166
R-free	0.18770
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.771
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]	42.102	2.107
High resolution limit [Å]	2.100	2.100
Rmerge	0.130	1.194
Rpim	0.039	0.359
Number of reflections	50088	526
<I/σ(I)>	16.6	3.2
Completeness [%]	94.9	100
Redundancy	11.8	12.3
CC(1/2)	0.999	0.776

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 preincubated with 2 mM GSPP, 5 mM MgCl2, and 50 mM L-Glu