Experiment: 1DEK

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		6.5		pH 6.5

Crystal Properties
Matthews coefficient	Solvent content
2.98	59

Symmetry
Space Group	C 1 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	277	IMAGE PLATE	MAR scanner 300 mm plate	ELLIPTICAL MIRROR	1994-09-30	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	EMBL/DESY, HAMBURG BEAMLINE BW7B		EMBL/DESY, HAMBURG	BW7B

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	10	41793		99	0.187		34

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	24.2
p_staggered_tor	18.3
p_scangle_it	10.7
p_scbond_it	7.6
p_mcangle_it	6.2
p_mcbond_it	4.1
p_planar_tor	2.5
p_multtor_nbd	0.198
p_chiral_restr	0.148
p_singtor_nbd	0.129

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	24.2
p_staggered_tor	18.3
p_scangle_it	10.7
p_scbond_it	7.6
p_mcangle_it	6.2
p_mcbond_it	4.1
p_planar_tor	2.5
p_multtor_nbd	0.198
p_chiral_restr	0.148
p_singtor_nbd	0.129
p_planar_d	0.033
p_angle_d	0.028
p_bond_d	0.014
p_plane_restr	0.014
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_xyhbond_nbd
p_orthonormal_tor
p_special_tor