ISDA: 7RL3

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	293	D.m. Plk4 PB3 was crystallized using a mother liquor (1 ml) containing 32% PEG 4000, 200 mM Li2SO4, and 200 mM Tris at pH 8.5. The hanging drop initial condition was 2 ul mother liquor plus 2 ul (15 mg/ml stock) Plk4 PB3. Crystals were transferred to a cryo condition containing mother liquor plus 20% ethylene glycol

Unit Cell:

a: 36.711 Å b: 53.095 Å c: 41.637 Å α: 90.000° β: 107.920° γ: 90.000°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 1.82 Solvent Content: 32.44

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	SAD	THROUGHOUT	1.75	39.6170	14186	1420	91.3800	0.1964	0.2327	32.5538

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
1.75	50.000	93.400	0.048	?	20.200	3.500	?	14468	?	?	19.840

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	1.750	1.810	62.400	?	?	?	2.400	?

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 22-ID	1.0000	APS	22-ID

Software