Experiment: 1YME

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.09	41.19

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		IMAGE PLATE	RIGAKU		1991-04-19	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
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		1.53	5	2	33101			0.148		18.4

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_transverse_tor	29.4
p_staggered_tor	14.5
p_scangle_it	4.16
p_scbond_it	2.899
p_planar_tor	2.8
p_mcangle_it	1.922
p_mcbond_it	1.302
p_chiral_restr	0.202
p_singtor_nbd	0.182
p_multtor_nbd	0.181

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	29.4
p_staggered_tor	14.5
p_scangle_it	4.16
p_scbond_it	2.899
p_planar_tor	2.8
p_mcangle_it	1.922
p_mcbond_it	1.302
p_chiral_restr	0.202
p_singtor_nbd	0.182
p_multtor_nbd	0.181
p_xyhbond_nbd	0.178
p_planar_d	0.043
p_angle_d	0.036
p_bond_d	0.017
p_plane_restr	0.015
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor