Experiment: 1OTF

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.04	39.6

Symmetry
Space Group	P 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	MARRESEARCH		1994-09-06	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1			1.5418

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		1.9	10	24401			0.202			18.6

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	42.83
p_staggered_tor	20.39
p_planar_tor	4.82
p_scangle_it	4.18
p_scbond_it	2.57
p_mcangle_it	2.33
p_mcbond_it	1.49
p_multtor_nbd	0.272
p_singtor_nbd	0.195
p_xhyhbond_nbd	0.186

RMS Deviations
Key	Refinement Restraint Deviation
p_orthonormal_tor	42.83
p_staggered_tor	20.39
p_planar_tor	4.82
p_scangle_it	4.18
p_scbond_it	2.57
p_mcangle_it	2.33
p_mcbond_it	1.49
p_multtor_nbd	0.272
p_singtor_nbd	0.195
p_xhyhbond_nbd	0.186
p_planar_d	0.05
p_angle_d	0.047
p_chiral_restr	0.039
p_plane_restr	0.024
p_bond_d	0.014
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor