1TIC

CONFORMATIONAL LABILITY OF LIPASES OBSERVED IN THE ABSENCE OF AN OIL-WATER INTERFACE: CRYSTALLOGRAPHIC STUDIES OF ENZYMES FROM THE FUNGI HUMICOLA LANUGINOSA AND RHIZOPUS DELEMAR


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.7555.32

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 92.77α = 90
b = 128.86β = 135.82
c = 78.35γ = 90
Symmetry
Space GroupC 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.67.5168760.16
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]
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor30.96
p_staggered_tor20.933
p_scangle_it4.558
p_scbond_it2.967
p_planar_tor2.944
p_mcangle_it2.572
p_mcbond_it1.633
p_multtor_nbd0.231
p_singtor_nbd0.186
p_xhyhbond_nbd0.179
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor30.96
p_staggered_tor20.933
p_scangle_it4.558
p_scbond_it2.967
p_planar_tor2.944
p_mcangle_it2.572
p_mcbond_it1.633
p_multtor_nbd0.231
p_singtor_nbd0.186
p_xhyhbond_nbd0.179
p_planar_d0.104
p_chiral_restr0.061
p_angle_d0.056
p_plane_restr0.025
p_bond_d0.016
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms534
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement