Experiment: 2IZX

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	Other		RII APO CRYSTAL STRUCTURE

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7.5		1 M TRI-SODIUM CITRATE, 0.1 M TRIS-HCL PH 7.5

Crystal Properties
Matthews coefficient	Solvent content
2.36	47.9

Symmetry
Space Group	P 21 21 21

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 CCD	CYLINDRICAL GRAZING INCIDENCE MIRROR	2005-07-05	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ESRF BEAMLINE ID29		ESRF	ID29

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	1.3	35.4	99.7	0.06	16	4.35		26863		2.5

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	1.3	1.37	99.8		0.34	2.5	2.9

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	RII APO CRYSTAL STRUCTURE	1.3	28.42	25468	1348	99.7	0.166	0.164	0.194	RANDOM	15.24

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]
-0.11			0.11		-0.01

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	32.064
r_dihedral_angle_3_deg	11.012
r_dihedral_angle_4_deg	9.621
r_scangle_it	5.582
r_scbond_it	3.927
r_dihedral_angle_1_deg	3.787
r_mcangle_it	2.706
r_mcbond_it	2.167
r_angle_refined_deg	1.805
r_nbtor_refined	0.324

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	32.064
r_dihedral_angle_3_deg	11.012
r_dihedral_angle_4_deg	9.621
r_scangle_it	5.582
r_scbond_it	3.927
r_dihedral_angle_1_deg	3.787
r_mcangle_it	2.706
r_mcbond_it	2.167
r_angle_refined_deg	1.805
r_nbtor_refined	0.324
r_nbd_refined	0.278
r_xyhbond_nbd_refined	0.209
r_symmetry_vdw_refined	0.166
r_chiral_restr	0.144
r_symmetry_hbond_refined	0.107
r_bond_refined_d	0.018
r_gen_planes_refined	0.01
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_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