6EX0

Crystal structure of RelP (SAS2) from Staphylococcus aureus bound to pppGpp in the post-catalytic state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	124.330, 124.330, 213.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.700 - 2.780
R-factor	0.22
Rwork	0.218
R-free	0.26310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ded
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2614: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.700	2.879
High resolution limit [Å]	2.780	2.780
Rmerge	0.073	1.048
Rmeas	0.080	1.168
Rpim	0.030	0.492
Number of reflections	133228	10390
<I/σ(I)>	12.63	1.4
Completeness [%]	99.3	93.11
Redundancy	6.3	5.1
CC(1/2)	0.997	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Hepes-Na pH7.0 0.2M Sodium thiocyanate 40% pentaerythriol propoxylate (5/4 PO/OH)