4PHO

ClyA CC6/264 ox (2-303)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-07
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	94.920, 125.600, 186.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.097 - 2.123
R-factor	0.1875
Rwork	0.185
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qoy
RMSD bond length	0.007
RMSD bond angle	0.888
Data reduction software	XDS
Data scaling software	XSCALE (2.3.0)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.250
High resolution limit [Å]	2.120	6.320	2.120
Rmerge	0.064	0.025	0.861
Rmeas	0.067	0.026	0.903
Total number of observations	710409
Number of reflections	63155	2558	9986
<I/σ(I)>	21.63	72.16	3.1
Completeness [%]	99.5	99.7	97.1
Redundancy	3.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	21% PEG 3350, 0.1 M Tris-Acetate