2C5J

N-terminal domain of tlg1, domain-swapped dimer


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
15.620MG/ML PROTEIN, 8% PEG8000, 80MM K PHOSPHATE PH5.6, FROZEN IN 22.5% GLYCEROL, pH 5.60
Crystal Properties
Matthews coefficientSolvent content
2.957.28

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 44.666α = 90
b = 46.104β = 90
c = 117.887γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMARRESEARCHOSMIC MIRRORS2004-06-30MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RU200

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.12596.40.0516.43.414293
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.12.2191.90.334.53.4

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 2C5I2.158.931353372596.10.2590.2560.311RANDOM36.07
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]
-0.132.69-2.55
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.31
r_dihedral_angle_4_deg23.851
r_dihedral_angle_3_deg16.301
r_dihedral_angle_1_deg5.621
r_scangle_it4.431
r_scbond_it2.789
r_mcangle_it1.582
r_angle_refined_deg1.36
r_mcbond_it1.04
r_nbtor_refined0.292
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.31
r_dihedral_angle_4_deg23.851
r_dihedral_angle_3_deg16.301
r_dihedral_angle_1_deg5.621
r_scangle_it4.431
r_scbond_it2.789
r_mcangle_it1.582
r_angle_refined_deg1.36
r_mcbond_it1.04
r_nbtor_refined0.292
r_symmetry_vdw_refined0.251
r_nbd_refined0.229
r_xyhbond_nbd_refined0.185
r_symmetry_hbond_refined0.141
r_chiral_restr0.095
r_bond_refined_d0.016
r_gen_planes_refined0.005
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
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1419
Nucleic Acid Atoms
Solvent Atoms75
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
PHASERphasing