Experiment: 2NAD

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.4	48.84

Symmetry
Space Group	P 21 21 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1

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		2.05	10	50775			0.114

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	32.29
p_staggered_tor	15.41
p_scangle_it	6.95
p_scbond_it	4.83
p_planar_tor	2.93
p_mcangle_it	2.27
p_mcbond_it	1.59
p_multtor_nbd	0.252
p_xhyhbond_nbd	0.216
p_singtor_nbd	0.181

RMS Deviations
Key	Refinement Restraint Deviation
p_orthonormal_tor	32.29
p_staggered_tor	15.41
p_scangle_it	6.95
p_scbond_it	4.83
p_planar_tor	2.93
p_mcangle_it	2.27
p_mcbond_it	1.59
p_multtor_nbd	0.252
p_xhyhbond_nbd	0.216
p_singtor_nbd	0.181
p_chiral_restr	0.168
p_planar_d	0.047
p_angle_d	0.045
p_bond_d	0.017
p_plane_restr	0.016
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor