1MJX

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.31	40

Symmetry
Space Group	H 3 2

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		1996-04-26	M

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

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-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		2.15	15	1	264155			0.19	0.263	34.21

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	21.7
p_transverse_tor	21.5
p_planar_tor	9.1
p_scangle_it	3.99
p_scbond_it	2.8
p_mcangle_it	2.31
p_mcbond_it	1.46
p_multtor_nbd	0.251
p_singtor_nbd	0.186
p_xyhbond_nbd	0.17

RMS Deviations
Key	Refinement Restraint Deviation
p_staggered_tor	21.7
p_transverse_tor	21.5
p_planar_tor	9.1
p_scangle_it	3.99
p_scbond_it	2.8
p_mcangle_it	2.31
p_mcbond_it	1.46
p_multtor_nbd	0.251
p_singtor_nbd	0.186
p_xyhbond_nbd	0.17
p_chiral_restr	0.132
p_planar_d	0.038
p_angle_d	0.037
p_bond_d	0.014
p_angle_deg
p_hb_or_metal_coord
p_plane_restr
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor