Experiment: 1ODX

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.25	45.28

Symmetry
Space Group	P 61

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	293	IMAGE PLATE	MARRESEARCH		1996-05-22	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	2	10	85.2	0.084		3.5		11019		1

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-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		2	10	2	11019		85.2	0.166

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	20.4
p_scangle_it	5.172
p_scbond_it	3.602
p_planar_tor	2.6
p_mcangle_it	1.922
p_mcbond_it	1.189
p_multtor_nbd	0.224
p_singtor_nbd	0.199
p_chiral_restr	0.191
p_xyhbond_nbd	0.179

RMS Deviations
Key	Refinement Restraint Deviation
p_staggered_tor	20.4
p_scangle_it	5.172
p_scbond_it	3.602
p_planar_tor	2.6
p_mcangle_it	1.922
p_mcbond_it	1.189
p_multtor_nbd	0.224
p_singtor_nbd	0.199
p_chiral_restr	0.191
p_xyhbond_nbd	0.179
p_planar_d	0.053
p_angle_d	0.047
p_bond_d	0.015
p_plane_restr	0.014
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_transverse_tor
p_special_tor