ISDA: 2Z90

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	293	20mM Tris-HCl (pH 7.9), 200 mM NaCl, PEG-3000, 200mM MgCl2, 0.1M sodium cacodylate (pH 6.5), Microbatch method under oil, temperature 293K

Unit Cell:

a: 90.008 Å b: 90.008 Å c: 421.522 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: H 3 2

Crystal Properties:

Matthew's Coefficient: 2.30 Solvent Content: 46.53

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	2.40	29.94	26434	1276	99.8	0.187	0.227	27.8

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
2.40	30.0	99.9	?	0.143	15.3	17.2	?	26434	?	?	30.6

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	2.40	2.49	99.3	?	0.48	3.5	?	2584

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
ROTATING ANODE	RIGAKU ULTRAX 18	1.5418	?	?

Software