ISDA: 28ZT

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	291	150 nanoliters of DHX9 at 10 mg/mL with 5 mM ADP, 5 mM MgCl2 and 90 micromolar ATX-968, plus 150 nanoliters of a crystallisation solution consisting of 100 mM Morpheus buffer system 2 pH 7-8, 100 mM Morpheus carboxylic acids mix and 30-40% Morpheus precipitant mix 2, plus 40 nanoliters of seeds, against 70 microliters of crystallisation solution

Unit Cell:

a: 119.611 Å b: 166.973 Å c: 293.495 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 3.20 Solvent Content: 61.61

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	3.4000	49.7300	81523	4130	100.0000	0.2361	0.2583	151.2800

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
3.400	49.730	100.000	0.151	?	11.800	13.600	?	81625	?	?	117.500

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	3.400	3.460	100.000	?	?	?	14.000	?

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	DIAMOND BEAMLINE I03	0.9763	Diamond	I03

Software