Experiment: 6D0O

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	The protein solution was 10-20 mg/ml in 20mM Tris-pH 8, 50mM NaCl, 5mM bME. The precipitant solution was 0.1M Hepes-pH 7.5, 10(w/v)% PEG 8K, 8(v/v)% ethylene glycol.

Crystal Properties
Matthews coefficient	Solvent content
3.45	64.37

Symmetry
Space Group	I 41

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	MARMOSAIC 225 mm CCD		2009-03-25	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	APS BEAMLINE 22-BM	1.000	APS	22-BM

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Sym 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	2.3	109.6	100	0.113	23.5	6.9		79857

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.3	2.34	100		0.761		6.7

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 (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	2.3	50	76047	3793	99.88	0.18782	0.18586	0.22843	RANDOM	45.479

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]
0.39			0.39		-0.79

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.892
r_dihedral_angle_4_deg	19.682
r_dihedral_angle_3_deg	18.328
r_long_range_B_refined	10.331
r_long_range_B_other	10.325
r_dihedral_angle_1_deg	7.747
r_scangle_other	7.65
r_mcangle_other	7.023
r_mcangle_it	7.021
r_scbond_it	5.265

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.892
r_dihedral_angle_4_deg	19.682
r_dihedral_angle_3_deg	18.328
r_long_range_B_refined	10.331
r_long_range_B_other	10.325
r_dihedral_angle_1_deg	7.747
r_scangle_other	7.65
r_mcangle_other	7.023
r_mcangle_it	7.021
r_scbond_it	5.265
r_scbond_other	5.224
r_mcbond_it	4.81
r_mcbond_other	4.779
r_angle_refined_deg	1.975
r_angle_other_deg	1.212
r_chiral_restr	0.172
r_bond_refined_d	0.018
r_gen_planes_refined	0.009
r_bond_other_d	0.002
r_gen_planes_other	0.002
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_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded