ISDA: 1S6A

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.0	277	1.5M sodium citrate, 20% sucrose, 50mM sodium azide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Unit Cell:

a: 83.350 Å b: 83.350 Å c: 65.180 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: I 41

Crystal Properties:

Matthew's Coefficient: 3.93 Solvent Content: 68.48

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	1.69	32.4	20036	1080	83.69	0.19787	0.21928	24.302

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
1.69	41.68	70.5	0.048	?	9.9	1.73	?	34919	3.0	3.0	?

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	1.69	1.75	9.9	?	?	2.4	1.04	488

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