Experiment: 1D67

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION	6.5	295	pH 6.50, VAPOR DIFFUSION, temperature 295.00K

Crystal Properties
Matthews coefficient	Solvent content
2.9	57.57

Symmetry
Space Group	P 41 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray		DIFFRACTOMETER	RIGAKU AFC-5

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU RU200

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (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	1.5						4578

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		1.6	8	3	2032			0.222

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
n_phos_bond_d	0.03
n_sugar_bond_d	0.02
n_bond_d
n_angle_d
n_planar_d
n_hb_or_metal_coord
n_sugar_bond_it
n_sugar_angle_it
n_phos_bond_it
n_phos_angle_it

RMS Deviations
Key	Refinement Restraint Deviation
n_phos_bond_d	0.03
n_sugar_bond_d	0.02
n_bond_d
n_angle_d
n_planar_d
n_hb_or_metal_coord
n_sugar_bond_it
n_sugar_angle_it
n_phos_bond_it
n_phos_angle_it
n_bond_angle_restr
n_dihedral_angle_restr
n_impr_tor
n_sugar_bond_angle_d
n_phos_bond_angle_d
n_plane_restr
n_chiral_restr
n_singtor_nbd
n_multtor_nbd
n_xhyhbond_nbd