ISDA: 12RH

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	277	THE CONCENTRATION OF HB-EGCG ADDUCT WAS 16 MG/ML IN 10 MM TRIS PH 8.0. THE CRYSTALLIZATION RESERVOIR WAS 20% PEG3350, 0.1 M RACEMIC MALIC ACID, 0.05 M HEPES PH 7.0. 200 NL PROTEIN + 150 NL RESERVOIR. SET BY MOSQUITO IN MRC SD2 PLATES, 50 MICROLITER RESERVOIRS

Unit Cell:

a: 80.000 Å b: 81.600 Å c: 90.520 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 2.36 Solvent Content: 47.97

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	FREE R-VALUE	1.995	39.58	40813	2014	99.44	0.1985	0.2391	47.11

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
1.995	48.31	99.9	0.192	?	8.84	13.2	?	40813	?	?	?

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	2.00	2.05	?	?	?	?	?	?

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	APS BEAMLINE 23-ID-B	1.033202	APS	23-ID-B

Software