ISDA: 1BL4

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.0	?	VAPOR DIFFUSION IN HANGING DROPS WITH 40 MG/ML COMPLEX AND 1.2M AMMONIUM SULFATE, 0.1M SODIUM PHOSPHATE, PH 6.0 OVER RESERVOIRS OF 2.4 M AMMONIUM SULFATE, vapor diffusion - hanging drop

Unit Cell:

a: 32.730 Å b: 41.850 Å c: 43.590 Å α: 62.61° β: 82.75° γ: 85.29°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 2.23 Solvent Content: 38

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	THROUGHOUT	1.9	10.0	15095	1518	95.	0.1880000	0.2300000	?

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
1.9	20.	94.8	0.063	?	?	3.5	?	16490	?	0.0	16.5

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	1.9	2.0	91	?	0.160	3.9	3.5	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		110 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
ROTATING ANODE	RIGAKU RU200	?	?	?

Software