ISDA: 38LQ

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.75	298	1 ml well solution consisted of 12 % PEG 5000 MME, 0.08 M Bis-Tris pH 5.75, and the hanging drop consisted of 2 ul of well solution mixed with 1 ul of 9.4 mg/ml complex in SEC buffer. Using nylon mounting loops, crystals were fished from the drop, submerged for 30 seconds in a cryo solution containing 15% PEG-5000 MME, 0.08M Bis-Tris pH 6 and 25 % glycerol, then plunged in liquid nitrogen.

Unit Cell:

a: 92.721 Å b: 92.721 Å c: 402.579 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 61

Crystal Properties:

Matthew's Coefficient: 2.96 Solvent Content: 58.49

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	1.836	80.299	117883	6177	69.537	?	0.2381	32.078

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
1.836	80.3	88.4	0.150	?	8.3	7.8	?	117884	?	?	?

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	1.836	2.095	57.7	?	?	1.8	3.3	?

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 31-ID	0.97930	APS	31-ID

Software