6QSD

Crystal structure of Pizza6S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	48.787, 56.425, 69.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.905 - 1.450
R-factor	0.1736
Rwork	0.172
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ww9
RMSD bond length	0.013
RMSD bond angle	1.313
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]	43.910	1.470
High resolution limit [Å]	1.450	1.450
Rpim	0.055	0.320
Number of reflections	33717
<I/σ(I)>	9.7	2.1
Completeness [%]	96.8	95
Redundancy	7.6
CC(1/2)		0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	0.1M BICINE pH 9.0, 1.6M Ammonium Sulfate