ISDA: 3PBC

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	293	0.2 M lithium sulphate, 0.1M Tris HCl pH 8.5, 35%w/v PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Unit Cell:

a: 36.797 Å b: 66.431 Å c: 68.129 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 1.84 Solvent Content: 33.21

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	1.38	66.4	16433	1730	98.28	0.12227	0.16662	9.664

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
1.38	66.4	98.5	0.073	0.073	12.9	4.3	16683	16433	3.0	3.0	10.7

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	1.38	1.416	83.94	?	0.381	3.0	3.6	4569

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 ID23-1	0.9793	ESRF	ID23-1

Software