1BLC

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.91	57.8

Symmetry
Space Group	I 2 2 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	120

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 (Depositor)	R-Free (Depositor)	Mean Isotropic B
X-RAY DIFFRACTION		2.2	6	2	14015			0.179

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	28.6
p_staggered_tor	24.9
p_planar_tor	4.1
p_xhyhbond_nbd	0.28
p_multtor_nbd	0.255
p_singtor_nbd	0.244
p_chiral_restr	0.243
p_scangle_it	0.148
p_scbond_it	0.119
p_mcangle_it	0.117

RMS Deviations
Key	Refinement Restraint Deviation
p_orthonormal_tor	28.6
p_staggered_tor	24.9
p_planar_tor	4.1
p_xhyhbond_nbd	0.28
p_multtor_nbd	0.255
p_singtor_nbd	0.244
p_chiral_restr	0.243
p_scangle_it	0.148
p_scbond_it	0.119
p_mcangle_it	0.117
p_mcbond_it	0.09
p_angle_d	0.041
p_planar_d	0.036
p_plane_restr	0.024
p_bond_d	0.022
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor