6W2L

Crystal structure of human dehydrodolichyl diphosphate synthase (NgBR/DHDDS) in complex with Mg and IPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	185.670, 185.670, 113.351
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.916 - 2.306
Rwork	0.212
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x06 6jcn
RMSD bond length	0.004
RMSD bond angle	1.133
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.590
High resolution limit [Å]	2.306	5.380	2.500
Rmerge	0.108	0.070	0.877
Rmeas	0.113	0.074	0.927
Rpim	0.032	0.022	0.291
Number of reflections	31367	2658	2401
<I/σ(I)>	7.5
Completeness [%]	99.2	99.7	94.3
Redundancy	12.8	12.7	8.7
CC(1/2)		0.997	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	2.5 mM MgCl2, 3.3 mM IPP, 0.1 M Bicine, 10% v/v 2-propanol, 22% PEG 1500