ISDA: 1CIP

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.0	?	PROTEIN BOUND TO GPPNHP WAS CRYSTALLIZED IN 1.8-2.0M (NH4)2SO3, 100MM SODIUM ACETATE, H 6.0, 1MM MGSO4, 1MM GPPNHP, AND 5MM DTT. PRIOR TO DATA COLLECTION CRYSTALS WERE TRANSFERED TO 2.0M LI2SO4, 1MM GPPNHP, 3MM DTT, 1MM MGSO4, 100MM BES, PH 7.0, AND 15% GLYCEROL. CRYSTALS WERE FLASH FROZEN IN LIQUID PROPANE.

Unit Cell:

a: 80.050 Å b: 80.050 Å c: 105.550 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 32 2 1

Crystal Properties:

Matthew's Coefficient: 2.42 Solvent Content: 49.26

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	THROUGHOUT	1.5	15.0	57291	2895	90.84	?	0.2350000	18.02

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
1.5	15.00	90.2	0.0510000	?	21.6	3.92	57771	57771	?	0	15.94

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	1.50	1.55	77.4	?	?	7.5	2.5	?

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	CHESS BEAMLINE A1	?	CHESS	A1

Software