1GIG

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.72	54.73

Symmetry
Space Group	P 31 2 1

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

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		2.3	7	2	20393			0.195

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	20.7
p_orthonormal_tor	17.2
p_scangle_it	2.94
p_mcangle_it	2.55
p_planar_tor	2.3
p_scbond_it	1.81
p_mcbond_it	1.49
p_multtor_nbd	0.25
p_singtor_nbd	0.17
p_xhyhbond_nbd	0.16

RMS Deviations
Key	Refinement Restraint Deviation
p_staggered_tor	20.7
p_orthonormal_tor	17.2
p_scangle_it	2.94
p_mcangle_it	2.55
p_planar_tor	2.3
p_scbond_it	1.81
p_mcbond_it	1.49
p_multtor_nbd	0.25
p_singtor_nbd	0.17
p_xhyhbond_nbd	0.16
p_chiral_restr	0.14
p_planar_d	0.046
p_angle_d	0.043
p_plane_restr	0.013
p_bond_d	0.012
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor