1YEA

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
1.84	33.19

Symmetry
Space Group	P 43 21 2

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		1.9	6	2			0.19

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]

RMS Deviations
Key	Refinement Restraint Deviation
p_staggered_tor	25.7
p_orthonormal_tor	14.5
p_scangle_it	3.59
p_mcangle_it	2.52
p_scbond_it	2.41
p_planar_tor	2.4
p_mcbond_it	1.68
p_xhyhbond_nbd	0.249
p_singtor_nbd	0.213
p_chiral_restr	0.205

RMS Deviations
Key	Refinement Restraint Deviation
p_staggered_tor	25.7
p_orthonormal_tor	14.5
p_scangle_it	3.59
p_mcangle_it	2.52
p_scbond_it	2.41
p_planar_tor	2.4
p_mcbond_it	1.68
p_xhyhbond_nbd	0.249
p_singtor_nbd	0.213
p_chiral_restr	0.205
p_multtor_nbd	0.202
p_planar_d	0.05
p_angle_d	0.041
p_bond_d	0.02
p_plane_restr	0.016
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor