6EWZ

Crystal structure of RelP (SAS2) from Staphylococcus aureus bound to AMPCPP and GTP in the pre-catalytic state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	125.120, 125.120, 219.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.070 - 2.240
R-factor	0.1946
Rwork	0.193
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ded
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.070	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.055	1.811
Rmeas	0.058	1.885
Rpim	0.016	0.517
Number of reflections	42049
<I/σ(I)>	24.81	1.42
Completeness [%]	99.9	99.88
Redundancy	13.2	13.1
CC(1/2)	1.000	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris-HCl pH8.5 25% (w/v) PEG3350