ISDA: 5BS1

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.0	293	5 % PEG-3350, 0.2 M MgCl2, 50 mM Tris-HCl pH 8.0

Unit Cell:

a: 36.133 Å b: 52.989 Å c: 61.561 Å α: 76.490° β: 81.100° γ: 70.100°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 1.93 Solvent Content: 36.11

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	1.6000	30.0000	49112	2585	94.0900	0.1787	0.2060	18.8040

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
1.498	48.870	84.200	?	0.049	10.700	2.400	56366	56366	?	?	?

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	1.498	1.580	36.800	?	0.308	2.400	2.000	3499

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	SLS BEAMLINE X10SA	0.97900	SLS	X10SA

Software