Experiment: 2EU9

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	5.5	282	27% PEG 3350, 30 mM Ammonium acetate, 100 mM Bis Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 282K

Crystal Properties
Matthews coefficient	Solvent content
2.23	44.76

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	100	CCD	MARRESEARCH		2005-10-22	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SLS BEAMLINE X10SA	0.97180	SLS	X10SA

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	1.53	30.71	99.8	0.0577	0.04			55834	55697

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.53	1.65	99.6		0.3784	0.2959	4.2	3.3

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (All)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	1.53	30.71	55834	54141	1556	99.75	0.17146	0.17146	0.17057	0.20098	RANDOM	17.246

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]
1.12		1	-0.6		0.33

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.591
r_dihedral_angle_4_deg	20.67
r_dihedral_angle_3_deg	12.526
r_dihedral_angle_1_deg	5.831
r_scangle_it	3.906
r_scbond_it	2.833
r_mcangle_it	1.89
r_angle_refined_deg	1.743
r_angle_other_deg	1.533
r_mcbond_it	1.376

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.591
r_dihedral_angle_4_deg	20.67
r_dihedral_angle_3_deg	12.526
r_dihedral_angle_1_deg	5.831
r_scangle_it	3.906
r_scbond_it	2.833
r_mcangle_it	1.89
r_angle_refined_deg	1.743
r_angle_other_deg	1.533
r_mcbond_it	1.376
r_mcbond_other	0.4
r_symmetry_vdw_other	0.338
r_nbd_refined	0.226
r_symmetry_hbond_refined	0.224
r_nbd_other	0.193
r_nbtor_refined	0.188
r_xyhbond_nbd_refined	0.188
r_symmetry_vdw_refined	0.149
r_chiral_restr	0.113
r_nbtor_other	0.091
r_bond_refined_d	0.019
r_gen_planes_refined	0.009
r_bond_other_d	0.001
r_gen_planes_other	0.001
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded