ISDA: 6MFU

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	4.6	285	Microlytic MCSG1 screen, C4: 25.5% PEG 3350, 170mM Ammonium Acetate, 15% glycerol, 100mM Ammonium acetate/HCl pH 4.6: CrneC.00217.a.B1.PW38472 at 15.5mg/ml + 4mM ADP + 4mM GDP + 4mM MgCl2: cryo: direct: tray 301682c4, puck xcr5-9: for phasing a crystal from the same drop was incubated for 20sec each in reservoir + compounds + 5% 5M NaI in EG and 10% 5M NaI in EG, and directly vitrified, puck: TDC2-4

Unit Cell:

a: 58.670 Å b: 99.150 Å c: 90.050 Å α: 90.000° β: 91.230° γ: 90.000°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.61 Solvent Content: 52.9

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	49.5750	131039	1905	96.7200	0.1498	0.1755	25.0433

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
1.600	49.575	96.700	0.021	?	30.650	3.253	?	131080	?	?	27.655

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	1.600	1.640	89.600	?	?	4.400	2.597	?

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	ALS BEAMLINE 5.0.1	0.97741	ALS	5.0.1

Software