ISDA: 9TVK

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	293.15	15 mg/ml protein and 0.09 M halogens mix (0.3 M sodium fluoride, 0.3 M sodium bromide, 0.3 M sodium iodide), 0.1 M buffer system 2 pH 7.5 (0.5 M sodium Hepes, 0.5 M bicine), 50% (v/v) precipitant mix 4 (25% (v/v) MPD, 25% (w/v) PEG 1000, 25% (w/v) PEG 3350)

Unit Cell:

a: 150.488 Å b: 150.488 Å c: 150.488 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 41 3 2

Crystal Properties:

Matthew's Coefficient: 2.57 Solvent Content: 52.17

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	2.398	106.411	23397	1180	99.898	?	0.2374	51.862

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
2.398	106.411	100	?	0.144	8.3	6.6	?	23456	?	?	?

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	2.40	2.49	?	?	1.153	?	?	?

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	ESRF BEAMLINE ID23-2	0.8731281579802835	ESRF	ID23-2

Software