ISDA: 4S2Y

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7	295	crystal growth: 0.4 M ammonium sulfate, 12% PEG 3350, 10% glycerol. crystal soaking and cross-linking: 0.02 M sodium acetate pH 5.0, 0.2 sodium sulfate, 15% PEG 3350, 15% glycerol. crystal soaking and cryoprotection: 0.05 M MOPS-Na pH 7.0, 0.025 M magnesium chloride, 15% PEG 3350, 25% pentaerythritol propoxylate 5/4 PO/OH, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Unit Cell:

a: 79.631 Å b: 36.484 Å c: 58.073 Å α: 90.00° β: 102.30° γ: 90.00°

Symmetry:

Space Group: C 1 2 1

Crystal Properties:

Matthew's Coefficient: 2.05 Solvent Content: 40.13

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	?	1.600	19.451	21062	1054	96.85	0.1735	0.1985	?

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
1.6	20.0	96.7	0.050	?	?	5.4	21164	21065	1.0	1.0	?

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	1.60	1.70	90.6	?	?	2.71	5.0	3134

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	1.5418	?	?

Software