Experiment: 1YPP

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.69	54.19

Symmetry
Space Group	P 21 21 21

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			M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	EMBL/DESY, HAMBURG BEAMLINE X11		EMBL/DESY, HAMBURG	X11

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		2.4	10	21721		79			29.5

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	35.28
p_staggered_tor	21.27
p_scangle_it	9.02
p_scbond_it	6.38
p_mcangle_it	4
p_planar_tor	3.67
p_mcbond_it	2.6
p_multtor_nbd	0.276
p_xyhbond_nbd	0.236
p_chiral_restr	0.222

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	35.28
p_staggered_tor	21.27
p_scangle_it	9.02
p_scbond_it	6.38
p_mcangle_it	4
p_planar_tor	3.67
p_mcbond_it	2.6
p_multtor_nbd	0.276
p_xyhbond_nbd	0.236
p_chiral_restr	0.222
p_singtor_nbd	0.209
p_planar_d	0.038
p_angle_d	0.031
p_bond_d	0.022
p_plane_restr	0.021
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor