5XSN

The catalytic domain of GdpP with c-di-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	54.620, 117.465, 126.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.098 - 2.501
R-factor	0.1841
Rwork	0.181
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xsi
RMSD bond length	0.008
RMSD bond angle	1.362
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	43.100
High resolution limit [Å]	2.510	2.500
Rmerge	0.088	0.314
Number of reflections	28908
<I/σ(I)>	40.53
Completeness [%]	99.9	97
Redundancy	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10%(w/v) PEG8000, 0.1M imidazole pH 7.5, 0.2M calcium acetate.