Experiment: 3AMZ

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	3AM9	PDB ENTRY 3AM9

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	EVAPORATION	7.4	295	50mM potassium phosphate buffer (pH 6.5) containing 8.0 9.5% polyethylene glycol 4000, 30%(wt/vol) glycerol, 0.2mM EDTA, 5mM DTT, EVAPORATION, temperature 295K

Crystal Properties
Matthews coefficient	Solvent content
2.64	53.34

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	ADSC QUANTUM 210		2010-06-13	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	PHOTON FACTORY BEAMLINE AR-NW12A	1	Photon Factory	AR-NW12A

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (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	2.09	34.83				177440	177076

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	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	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 3AM9	2.1	34.83	168559	8881	99.35	0.15347	0.15093	0.2018	RANDOM	25.134

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
r_dihedral_angle_2_deg	37.017
r_dihedral_angle_4_deg	17.076
r_dihedral_angle_3_deg	15.291
r_dihedral_angle_1_deg	6.582
r_scangle_it	4.946
r_scbond_it	3.179
r_angle_refined_deg	2.025
r_mcangle_it	1.87
r_mcbond_it	1.073
r_chiral_restr	0.143

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	37.017
r_dihedral_angle_4_deg	17.076
r_dihedral_angle_3_deg	15.291
r_dihedral_angle_1_deg	6.582
r_scangle_it	4.946
r_scbond_it	3.179
r_angle_refined_deg	2.025
r_mcangle_it	1.87
r_mcbond_it	1.073
r_chiral_restr	0.143
r_bond_refined_d	0.023
r_gen_planes_refined	0.01
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
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_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded