7X7Z

The crystal structure of 2+2/4+2 cyclase PloI4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.80000
Spacegroup name	P 43 2 2
Unit cell lengths	101.659, 101.659, 234.421
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.730 - 2.903
R-factor	0.2006
Rwork	0.199
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5btu
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.239	1.373
Number of reflections	28033	1348
<I/σ(I)>	12.4	2.2
Completeness [%]	99.9
Redundancy	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	0.2 M lithium sulfate, 2.5 M sodium chloride, and 0.1 M sodium acetate/ acetic acid (pH 4.5)