ISDA: 4A2U

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.8	?	8 MG PER ML PROTEIN, 25 MM CAMP, 40 MM NA CL, 10% PEG 8K, 75 MM CA ACETATE, 50 MM NA MES., pH 5.8

Unit Cell:

a: 67.328 Å b: 67.801 Å c: 104.877 Å α: 84.41° β: 83.46° γ: 80.14°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 2.17 Solvent Content: 43.3

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	2.63	16.00	43985	2349	86.07	0.18853	0.28767	67.409

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
2.63	30.00	93.4	0.08	?	11.20	4.8	?	50716	?	0.0	?

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	2.63	2.75	64.2		?	1.70	2.5

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	NSLS BEAMLINE X29A	?	NSLS	X29A

Software