ISDA: 34QD

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8	293	The protein was concentrated to 4 mg/ml for crystallisation screening using MRC MAXI 48-well plates (Molecular Dimensions). A well volume of 200 uL was used and the drops were made with 1 uL of protein and 1 uL of well solution. A crystal was obtained after 24 weeks at room temperature in condition D10 of the PACT Premier screen (0.2 M magnesium chloride, 0.1 M Tris pH 8, 20 % PEG 6000).

Unit Cell:

a: 46.150 Å b: 93.170 Å c: 70.140 Å α: 90.00° β: 96.38° γ: 90.00°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.69 Solvent Content: 54.30

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	1.4	28.73	104912	5426	95.5	?	0.213	?

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
1.4	28.73	95.5	0.079	?	7.5	3.0	?	110338	?	?	?

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	1.4	1.53	82.7	?	?	1.0	2.1	?

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	DIAMOND BEAMLINE I04-1	0.9795	Diamond	I04-1

Software