ISDA: 9H10

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293	6.95 mgmL-1 protein (in 20 mM MES pH 5.0, 150 mM NaCl), coincubated with 2X cofactor concentration overnight at 4 C. 2% MeCN final (v/v). Incubate 0.2 uL with 0.2 uL mother liquor (50 mM HEPES pH 7.0, 12% (w/v) PEG 3350, 1% (w/v) tryptone). Crystals grow in 1-2 days

Unit Cell:

a: 35.941 Å b: 60.354 Å c: 53.792 Å α: 90.00° β: 93.05° γ: 90.00°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.58 Solvent Content: 52.42

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	2.05	40.13	14487	?	99.69	?	0.2360	35.33

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
2.05	53.72	99.8	?	?	10.4	1.9	?	14494	?	?	?

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	2.05	2.11	?	?	?	2.3	?	?

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	DIAMOND BEAMLINE I03	0.97626	Diamond	I03

Software