6REG

Crystal structure of Pizza6-S with Zn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	72.135, 72.135, 166.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 1.300
R-factor	0.1479
Rwork	0.146
R-free	0.17570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ww9
RMSD bond length	0.010
RMSD bond angle	1.159
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.780	1.320
High resolution limit [Å]	1.300	1.300
Rpim	0.016	0.472
Number of reflections	108991	5338
<I/σ(I)>	33.5	2.3
Completeness [%]	100.0
Redundancy	24.6
CC(1/2)	1.000	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	23%(v/v) PEG550MME, 0.1M MES pH6.5, 20mM ZnSO4