1CBV

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.36	47.97

Symmetry
Space Group	P 1 21 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray						M	SINGLE WAVELENGTH

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		2.66	6	7759			0.191	0.191

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_orthonormal_tor	29
p_staggered_tor	23
p_planar_tor	5.6
p_multtor_nbd	0.243
p_xhyhbond_nbd	0.227
p_singtor_nbd	0.19
p_chiral_restr	0.155
x_bond_d_na	0.033
p_angle_d	0.033
p_planar_d	0.026

RMS Deviations
Key	Refinement Restraint Deviation
p_orthonormal_tor	29
p_staggered_tor	23
p_planar_tor	5.6
p_multtor_nbd	0.243
p_xhyhbond_nbd	0.227
p_singtor_nbd	0.19
p_chiral_restr	0.155
x_bond_d_na	0.033
p_angle_d	0.033
p_planar_d	0.026
x_bond_d	0.018
p_bond_d	0.018
p_plane_restr	0.011
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg
x_angle_deg_na
x_angle_deg_prot
x_dihedral_angle_d
x_dihedral_angle_d_na
x_dihedral_angle_d_prot
x_improper_angle_d
x_improper_angle_d_na
x_improper_angle_d_prot
x_mcbond_it
x_mcangle_it
x_scbond_it
x_scangle_it
p_angle_deg
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_xyhbond_nbd
p_transverse_tor
p_special_tor