Experiment: 2GM7

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	3 microliters of 10 mg/mL TenA in 20 mM Tris pH8, 20 mM NaCl, mixed with 3 microliters reservoir = 16% PEG 2000MME, and 0.1 M sodium phosphate, pH 6.6., VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystal Properties
Matthews coefficient	Solvent content
2.74	55.06

Symmetry
Space Group	I 2 2 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	IMAGE PLATE	RIGAKU RAXIS IV++	mirrors	2001-07-29	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU FR-D	1.5418

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	2.8	90	99.9	0.095	11.6	12.4	27783	27783			76

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	2.8	2.9	100	100	0.586

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 (All)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 1UDD	2.8	19.7	22752	22752	1152	82.54	0.234	0.234	0.231	0.286	RANDOM	21.666

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]
2.42			-1.53		-0.89

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.992
r_dihedral_angle_4_deg	19.466
r_dihedral_angle_3_deg	16.425
r_scangle_it	6.121
r_mcangle_it	5.073
r_scbond_it	4.56
r_mcbond_it	3.702
r_dihedral_angle_1_deg	3.26
r_angle_refined_deg	1.123
r_angle_other_deg	0.878

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.992
r_dihedral_angle_4_deg	19.466
r_dihedral_angle_3_deg	16.425
r_scangle_it	6.121
r_mcangle_it	5.073
r_scbond_it	4.56
r_mcbond_it	3.702
r_dihedral_angle_1_deg	3.26
r_angle_refined_deg	1.123
r_angle_other_deg	0.878
r_mcbond_other	0.68
r_symmetry_vdw_refined	0.226
r_symmetry_hbond_refined	0.226
r_nbd_refined	0.218
r_symmetry_vdw_other	0.208
r_nbtor_refined	0.191
r_nbd_other	0.181
r_xyhbond_nbd_refined	0.158
r_nbtor_other	0.085
r_chiral_restr	0.061
r_bond_refined_d	0.009
r_xyhbond_nbd_other	0.005
r_bond_other_d	0.004
r_gen_planes_refined	0.003
r_gen_planes_other	0.001