Experiment: 3RAM

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	8	278	49% MPD, 100mM Tris, 0.1mM ATP, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystal Properties
Matthews coefficient	Solvent content
4.29	71.33

Symmetry
Space Group	P 41 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	298	CCD	ADSC QUANTUM 315r		2009-12-12	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ESRF BEAMLINE ID23-1	0.97925	ESRF	ID23-1

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.6	48.52	99.6	0.091	0.091				83170

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	SAD	THROUGHOUT	2.7	48.52	2	83170	81664	1396	99.55	0.19103	0.1905	0.21768	RANDOM	42.906

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]
-1.41			-1.41		2.83

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	34.849
r_dihedral_angle_4_deg	18.266
r_dihedral_angle_3_deg	15.251
r_dihedral_angle_1_deg	5.854
r_scangle_it	2.241
r_scbond_it	1.395
r_angle_refined_deg	1.172
r_angle_other_deg	0.861
r_mcangle_it	0.763
r_mcbond_it	0.369

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	34.849
r_dihedral_angle_4_deg	18.266
r_dihedral_angle_3_deg	15.251
r_dihedral_angle_1_deg	5.854
r_scangle_it	2.241
r_scbond_it	1.395
r_angle_refined_deg	1.172
r_angle_other_deg	0.861
r_mcangle_it	0.763
r_mcbond_it	0.369
r_chiral_restr	0.068
r_mcbond_other	0.054
r_bond_refined_d	0.011
r_gen_planes_refined	0.004
r_bond_other_d	0.001
r_gen_planes_other	0.001
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded