5FTZ

AA10 lytic polysaccharide monooxygenase (LPMO) from Streptomyces lividans


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.60.05 M SODIUM ACETATE PH 4.6, 25 % PEG 4,000
Crystal Properties
Matthews coefficientSolvent content
2.0138.94

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 69.62α = 90
b = 32.43β = 97.77
c = 61.32γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100PIXELDECTRIS PILATUS 6MMIRRORS2015-05-15MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONDIAMOND BEAMLINE I03DiamondI03

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
11.3831.997.30.0614.84.927360
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)
11.381.492.20.681.83.5

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 2BEM1.3860.7625943141096.910.136340.135040.15999RANDOM13.849
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]
-0.190.09-0.50.64
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.712
r_dihedral_angle_4_deg15.057
r_dihedral_angle_3_deg12.075
r_dihedral_angle_1_deg6.646
r_scbond_it2.149
r_angle_refined_deg1.721
r_mcangle_it1.665
r_mcbond_it1.178
r_mcbond_other1.035
r_angle_other_deg1.027
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.712
r_dihedral_angle_4_deg15.057
r_dihedral_angle_3_deg12.075
r_dihedral_angle_1_deg6.646
r_scbond_it2.149
r_angle_refined_deg1.721
r_mcangle_it1.665
r_mcbond_it1.178
r_mcbond_other1.035
r_angle_other_deg1.027
r_chiral_restr0.114
r_bond_refined_d0.017
r_gen_planes_refined0.01
r_bond_other_d0.002
r_gen_planes_other0.002
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_mcangle_other
r_scbond_other
r_scangle_it
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 Atoms1304
Nucleic Acid Atoms
Solvent Atoms233
Heterogen Atoms2

Software

Software
Software NamePurpose
REFMACrefinement
xia2data reduction
Aimlessdata scaling
BALBESphasing