Experiment: 2V0N

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1W25	PDB ENTRY 1W25

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		8		PROTEIN SOLUTION: 100 MICROM PLED, 0.2 MM C-DI-GMP, 1 MM GTP-ALPHA-S, 1 MM BECL2, 10 MM NAF, 10 MM MGCL2 RESERVOIR: 0.1 M HEPES, PH 8.0, 0.73 M NA2SO4

Crystal Properties
Matthews coefficient	Solvent content
3.8	68

Symmetry
Space Group	P 21 21 2

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		2006-05-14	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SLS BEAMLINE X06SA		SLS	X06SA

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	2.7	73	95.6	0.1	6.1	3.02		39328

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.7	2.85	80.2		0.46	6.05	2.58

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 1W25	2.71	30	37302	1969	94	0.216	0.215	0.252	RANDOM	35.58

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]
0.01			-2.08		2.07

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.258
r_dihedral_angle_4_deg	17.955
r_dihedral_angle_3_deg	17.933
r_dihedral_angle_1_deg	5.756
r_scangle_it	4.154
r_scbond_it	2.725
r_mcangle_it	1.515
r_angle_refined_deg	1.505
r_mcbond_it	1.279
r_angle_other_deg	1.007

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.258
r_dihedral_angle_4_deg	17.955
r_dihedral_angle_3_deg	17.933
r_dihedral_angle_1_deg	5.756
r_scangle_it	4.154
r_scbond_it	2.725
r_mcangle_it	1.515
r_angle_refined_deg	1.505
r_mcbond_it	1.279
r_angle_other_deg	1.007
r_symmetry_hbond_refined	0.229
r_nbd_refined	0.223
r_symmetry_vdw_other	0.22
r_nbd_other	0.193
r_nbtor_refined	0.177
r_xyhbond_nbd_refined	0.145
r_chiral_restr	0.091
r_nbtor_other	0.09
r_symmetry_vdw_refined	0.084
r_bond_refined_d	0.011
r_gen_planes_refined	0.004
r_bond_other_d	0.002
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_mcbond_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded