6CZF

The structure of E. coli PurF in complex with ppGpp-Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97910
Spacegroup name	P 21 21 21
Unit cell lengths	107.293, 115.339, 156.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.642 - 1.949
R-factor	0.2166
Rwork	0.216
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ecj
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.980
High resolution limit [Å]	1.949	5.290	1.950
Rmerge	0.087	0.048	1.492
Rmeas	0.094	0.052	1.662
Rpim	0.037	0.021	0.720
Number of reflections	141205	7474	6903
<I/σ(I)>	4.8
Completeness [%]	99.9	99.6	99
Redundancy	6.4	6.5	5.1
CC(1/2)		0.998	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Drops containing 2 uL of protein (25 mg.ml in 20 mM HEPES pH 7.4, 150 mM NaCl, 1 mM TCEP, 5 mM ppGpp, 15 mM MgCl2) were mixed with 2 uL of well solution (0.1 M HEPES pH 7.4, 24% PEG-3350, 4% isopropanol.)