1MCK

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1				THIS COMPLEX WAS PREPARED BY DIFFUSION OF THE PEPTIDE INTO A CRYSTAL OF THE DIMER.

Crystal Properties
Matthews coefficient	Solvent content
3.04	59.59

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

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON		1.0	Photon Factory

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		2.7	6	1.5	7680			0.189

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	26.6
p_staggered_tor	24.3
p_planar_tor	8
p_multtor_nbd	0.264
p_singtor_nbd	0.182
p_xhyhbond_nbd	0.178
p_chiral_restr	0.12
p_angle_d	0.027
p_planar_d	0.023
p_bond_d	0.013

RMS Deviations
Key	Refinement Restraint Deviation
p_orthonormal_tor	26.6
p_staggered_tor	24.3
p_planar_tor	8
p_multtor_nbd	0.264
p_singtor_nbd	0.182
p_xhyhbond_nbd	0.178
p_chiral_restr	0.12
p_angle_d	0.027
p_planar_d	0.023
p_bond_d	0.013
p_plane_restr	0.01
p_angle_deg
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_xyhbond_nbd
p_transverse_tor
p_special_tor