ISDA: 28ZC

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	294	1.413 M K2HPO4, 0.045 M NaH2PO4, drops containing 4 microliter of protein (27 mg/mL) and 2 microliter reservoir solution. Mature crystals were soaked in a drop containing 50 mM BA4 in 1.43 M K2HPO4, 0.045 M NaH2PO4, 25 % Ethylene Glycol.

Unit Cell:

a: 188.783 Å b: 188.783 Å c: 188.783 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: I 41 3 2

Crystal Properties:

Matthew's Coefficient: 4.20 Solvent Content: 70.69

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	2.17	77.07	30587	1470	99.97	0.2088	0.2339	?

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
2.169	77.070	100.0	0.173	?	26.4	81.7	?	30596	?	?	?

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	2.169	2.206	100	?	?	?	?	?

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