ISDA: 9YMT

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	277	1 microlitre of 9 mg/mL Stk1 1-291, 5 mM MgCl2, 2% (w/v) benzamidine hydrochloride, 1 mM dithiothreitol, 20 mM HEPES pH 7.5, 150 mM NaCl and 2 mM GW779439X was mixed with 1 microlitre of reservoir solution: 80 mM 2-(N-morpholino)-ethanesulfonic acid, pH 6.0, 1.2 M sodium citrate, pH 7.0, 2% (w/v) benzamidine hydrochloride and 30 mM MgCl2

Unit Cell:

a: 100.792 Å b: 100.792 Å c: 91.698 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 43 21 2

Crystal Properties:

Matthew's Coefficient: 3.52 Solvent Content: 65.09

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	2.07	45.08	22005	2000	74.52	0.2162	0.2495	59.23

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
2.066	45.08	95.7	0.095	?	28.7	25.3	?	22007	?	?	42.62

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	2.066	2.235	80.3	?	?	1.8	?	?

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	CLSI BEAMLINE 08B1-1	1.0	CLSI	08B1-1

Software