ISDA: 9VLP

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.6	293.15	Crystallized construct: -Contains: UniProt Q9HXM1 (1-380) + C-terminal VDAL residues (381-384). Crystallization: - Reservoir solution: 1.0 M K2HPO4, 1.0 M NaH2PO4, 0.1 M (NH4)2SO4, pH 7.6 - Temperature: 291.15 K - Cryoprotection: 16% (v/v) glycerol added directly to crystal mother liquor - Cryocooling: Flash-cooled in liquid nitrogen without additional soaking

Unit Cell:

a: 81.487 Å b: 81.487 Å c: 205.238 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 41 21 2

Crystal Properties:

Matthew's Coefficient: 2.12 Solvent Content: 41.88

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	1.499	43.419	111256	5563	99.91	0.1865	0.2088	?

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
1.499	43.4191	99.9129	0.08	?	4.84	12.65	?	111256	?	?	?

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	1.4993	1.6610	99.7	?	?	?	?	?

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	SSRF BEAMLINE BL18U1	0.9791	SSRF	BL18U1

Software