Experiment: 2J0K

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		8.5		15% PEG10K, 300MM NACL, 100MM TRIS PH8.5, 10MM TCEP, pH 8.50

Crystal Properties
Matthews coefficient	Solvent content
2.67	53.95

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		2005-08-20	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	APS BEAMLINE 24-ID-C		APS	24-ID-C

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	3	40	96.7	0.1	16.57	6.2		32779

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	3	3.11	70.9		0.42	2.13	3.3

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	PDB ENTRIES 1MP8 AND 2AEH	3	38.49	30750	1636	97.4	0.237	0.234	0.299	RANDOM	81.93

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]
-0.22			-0.08		0.31

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	38.48
r_dihedral_angle_3_deg	21.274
r_dihedral_angle_4_deg	20.264
r_dihedral_angle_1_deg	6.916
r_scangle_it	1.584
r_angle_refined_deg	1.333
r_mcangle_it	0.974
r_scbond_it	0.894
r_mcbond_it	0.55
r_nbtor_refined	0.313

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	38.48
r_dihedral_angle_3_deg	21.274
r_dihedral_angle_4_deg	20.264
r_dihedral_angle_1_deg	6.916
r_scangle_it	1.584
r_angle_refined_deg	1.333
r_mcangle_it	0.974
r_scbond_it	0.894
r_mcbond_it	0.55
r_nbtor_refined	0.313
r_symmetry_vdw_refined	0.296
r_nbd_refined	0.236
r_xyhbond_nbd_refined	0.157
r_chiral_restr	0.091
r_symmetry_hbond_refined	0.047
r_bond_refined_d	0.011
r_gen_planes_refined	0.004
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