7AQS

Crystal structure of E. coli DPS in space group P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.979399
Spacegroup name	P 1
Unit cell lengths	91.550, 91.810, 172.640
Unit cell angles	91.17, 100.52, 119.92

Refinement procedure

Resolution	45.895 - 2.800
R-factor	0.203
Rwork	0.202
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dps
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.895	2.870
High resolution limit [Å]	2.800	2.800
Rmeas	0.397	1.676
Number of reflections	116604	11605
<I/σ(I)>	6.4	1.4
Completeness [%]	99.7	99.18
Redundancy	10.7	10.6
CC(1/2)	0.988	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.0, 6.73 % w/v PEG 5000 MME and 0.06 M KCl