Experiment: 2A5G

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2A5D	CTA1:ARF6-GTP

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 2000mme, cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystal Properties
Matthews coefficient	Solvent content
2.01	38.4

Symmetry
Space Group	P 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 315		2004-04-01	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ALS BEAMLINE 8.2.2	1.0781	ALS	8.2.2

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	2.66	50				8923	8923	1.5	1.5

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.66	2.8	75.3

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	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	MOLECULAR REPLACEMENT	THROUGHOUT	CTA1:ARF6-GTP	2.66	18.52	8477	8477	417	94.87	0.20217	0.19912	0.26519	RANDOM	4.094

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]
-0.21	-0.2	-0.24	0.2	0.37	0.04

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	30.734
r_dihedral_angle_3_deg	13.099
r_dihedral_angle_4_deg	11.823
r_dihedral_angle_1_deg	4.506
r_angle_refined_deg	0.717
r_angle_other_deg	0.559
r_mcangle_it	0.52
r_mcbond_it	0.289
r_symmetry_hbond_refined	0.204
r_nbd_refined	0.194

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	30.734
r_dihedral_angle_3_deg	13.099
r_dihedral_angle_4_deg	11.823
r_dihedral_angle_1_deg	4.506
r_angle_refined_deg	0.717
r_angle_other_deg	0.559
r_mcangle_it	0.52
r_mcbond_it	0.289
r_symmetry_hbond_refined	0.204
r_nbd_refined	0.194
r_xyhbond_nbd_refined	0.194
r_nbd_other	0.185
r_nbtor_refined	0.184
r_scangle_it	0.176
r_symmetry_vdw_other	0.151
r_xyhbond_nbd_other	0.106
r_symmetry_vdw_refined	0.105
r_scbond_it	0.099
r_nbtor_other	0.081
r_metal_ion_refined	0.066
r_chiral_restr	0.043
r_mcbond_other	0.018
r_bond_refined_d	0.003
r_bond_other_d	0.001
r_gen_planes_refined	0.001
r_gen_planes_other
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