ISDA: 9PD9

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	295	Sitting drop vapor diffusion in Cryschem plates. Reservoirs 30% PEG 3350. Drops 3.0 ul of reservoir, plus 2 ul additives oxalic acid, sulfanilic acid, 4-amino benzoic acid mix, plus 3.0 ul of 40 mg/ml stock protein solution of 0.1 M HEPES at pH 6.5.

Unit Cell:

a: 59.000 Å b: 59.000 Å c: 139.660 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 41 21 2

Crystal Properties:

Matthew's Coefficient: 2.20 Solvent Content: 50.56

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	1.28	25.25	58253	5905	90.64	0.1165	0.1466	33.48

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
1.28	25.9	91.5	0.054	?	16.5	5.78	?	58890	?	?	17.39

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	1.28	1.33	?	?	?	1.8	?	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		295 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
ROTATING ANODE	RIGAKU FR-E	1.54	?	?

Software