ISDA: 29LY

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	293	0.06 M Divalents : 0.3M Magnesium chloride hexahydrate; 0.3M Calcium chloride dihydrate 0.1 M Imidazole; MES monohydrate (acid) pH 6.5 37.5% v/v Mix 4: 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350

Unit Cell:

a: 32.223 Å b: 45.182 Å c: 64.178 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 1.66 Solvent Content: 25.81

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	1.20	36.94	28521	1507	99.95	0.13760	0.15597	13.140

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
1.20	45.18	100.0	0.109	?	15.4	12.5	?	30092	?	?	?

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	1.20	1.26	?	100.0	?	?	12.2	?

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	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)	0.9762	PETRA III, EMBL c/o DESY	P13 (MX1)

Software