ISDA: 9Q39

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	4.5	295	Upon purification, CcP-GGSG(2x)LPATGGG was buffer exchanged into filtered nanopure water and concentrated to 0.5 mM. Initial crystal hits were obtained using a Gryphon robot (Arts Robbins Instrument). Larger crystals were optimized via vapor diffusion in 4 microliter sitting drops, which were mixed 1:1 with well solution (14-20 % PEG 8000, 40 mM KH2PO4, 20 % glycerol, pH 3.0-5.5). Crystals growing under these conditions formed within a week.

Unit Cell:

a: 160.658 Å b: 46.409 Å c: 60.604 Å α: 90.000° β: 107.397° γ: 90.000°

Symmetry:

Space Group: C 1 2 1

Crystal Properties:

Matthew's Coefficient: 2.33 Solvent Content: 47.23

Refinement Statistics

Diffraction ID	Structure Solution Method	Cross Validation Method	Resolution Limit (High)	Resolution Limit (Low)	Number of Reflections (Observed)	Number of Reflections (R-free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	FREE R-VALUE	3.24	44.42	6422	650	92.07	0.2817	0.3313	61.66

Data Collection

Overall

Resolution Limit (High)	Resolution Limit (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
3.24	44.42	94.4	0.257	?	4.4	2.7	?	6454	?	?	61.64

Highest Resolution Shell

#	Resolution Limits (Low)	Resolution Limits (High)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	3.24	3.49	95.7	?	?	?	?	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	APS BEAMLINE 24-ID-E	0.9792	APS	24-ID-E

Software