9BLO | pdb_00009blo

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	4NI6

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2 M MgCl2, 0.1 M Tris.HCl pH 8.5, and 30% (w/v) PEG 4000

Crystal Properties
Matthews coefficient	Solvent content
2.26	45.46

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	PIXEL	DECTRIS EIGER X 9M		2015-10-05	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	AUSTRALIAN SYNCHROTRON BEAMLINE MX1	0.95370	Australian Synchrotron	MX1

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	Rpim I (All)	CC (Half)	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	1.35	18.85	94.8	0.023	1	27.8	6.7		61888

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	Rpim I (All)	CC (Half)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.35	1.37	77.4		0.352	0.787	2.4	6.6

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (All)	R-Work (Depositor)	R-Work (DCC)	R-Free (Depositor)	R-Free (DCC)	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	FREE R-VALUE	1.35	18.85	61700	3086	94.535	0.195	0.1929	0.1999	0.2286	0.2316	15.084

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]
0.003	-0.026	-0.041	0.04	0.026	-0.015

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	43.526
r_dihedral_angle_3_deg	11.552
r_dihedral_angle_1_deg	6.706
r_dihedral_angle_4_deg	3.831
r_lrange_it	2.097
r_lrange_other	1.924
r_angle_other_deg	1.267
r_scangle_it	1.221
r_scangle_other	1.221
r_angle_refined_deg	1.192

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	43.526
r_dihedral_angle_3_deg	11.552
r_dihedral_angle_1_deg	6.706
r_dihedral_angle_4_deg	3.831
r_lrange_it	2.097
r_lrange_other	1.924
r_angle_other_deg	1.267
r_scangle_it	1.221
r_scangle_other	1.221
r_angle_refined_deg	1.192
r_mcangle_other	1.11
r_mcangle_it	1.109
r_scbond_it	0.953
r_scbond_other	0.951
r_mcbond_it	0.811
r_mcbond_other	0.798
r_rigid_bond_restr	0.541
r_symmetry_nbd_refined	0.248
r_nbd_refined	0.223
r_nbd_other	0.218
r_symmetry_nbd_other	0.172
r_nbtor_refined	0.142
r_xyhbond_nbd_refined	0.116
r_symmetry_xyhbond_nbd_refined	0.104
r_symmetry_nbtor_other	0.068
r_chiral_restr	0.044
r_bond_refined_d	0.005
r_gen_planes_refined	0.004
r_bond_other_d	0.001
r_gen_planes_other	0.001