6QSE

Crystal structure of Pizza6S in the presence of Anderson-Evans (TEW)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	53.420, 56.469, 69.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.836 - 1.900
R-factor	0.2031
Rwork	0.201
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ww9
RMSD bond length	0.020
RMSD bond angle	1.006
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]	43.840	1.940
High resolution limit [Å]	1.900	1.900
Rpim	0.043	0.397
Number of reflections	17194
<I/σ(I)>	15.9	3.5
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.998	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1M HEPES pH7.0, 22%(w/v) PEG6000