5H9D

Crystal structure of Heptaprenyl Diphosphate Synthase from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	137.394, 137.642, 144.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.680
Rwork	0.243
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.780
High resolution limit [Å]	2.680	5.751	2.680
Rmerge	0.052	0.027	0.480
Rmeas	0.057	0.031	0.534
Rpim	0.025	0.013	0.229
Total number of observations	175144
Number of reflections	35313
<I/σ(I)>	25
Completeness [%]	92.0	85.4	94.3
Redundancy	5	4.7	5
CC(1/2)		0.999	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	298	Citic acid, bis-tris propane, PEG 3350