9KZ1

Crystal structure of PlySb from a chimeolysin ClyR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2016-09-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	57.410, 75.785, 38.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.890 - 1.440
R-factor	0.1721
Rwork	0.171
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d74
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.890	1.491
High resolution limit [Å]	1.440	1.440
Number of reflections	15215	1478
<I/σ(I)>	14.62
Completeness [%]	96.7	95.79
Redundancy	13.5
CC(1/2)	0.998	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M potassium sodium tartrate tetrahydrate, 20% w/v polyethylene glycol 3350