1QO5

Fructose 1,6-bisphosphate Aldolase from Human Liver Tissue


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP7HANGING DROP WITH AMMONIUM SULFATE AS THE PRECIPITANT, pH 7.00
Crystal Properties
Matthews coefficientSolvent content
5.6579

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 291.1α = 90
b = 489.84β = 103.68
c = 103.36γ = 90
Symmetry
Space GroupC 1 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray120CCDADSC QUANTUM 4 CCDMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSRS BEAMLINE PX9.5SRSPX9.5

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym 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
12.535710.1540.1223.22.433961242.57
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.52.6455.80.5670.4380.42.2

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 2ALD2.52931614616667710.2240.276RANDOM
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_transverse_tor35.4
p_staggered_tor22.3
p_scangle_it13.14
p_scbond_it12.234
p_mcangle_it7.652
p_mcbond_it6.147
p_planar_tor5.8
p_multtor_nbd0.316
p_singtor_nbd0.237
p_chiral_restr0.218
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor35.4
p_staggered_tor22.3
p_scangle_it13.14
p_scbond_it12.234
p_mcangle_it7.652
p_mcbond_it6.147
p_planar_tor5.8
p_multtor_nbd0.316
p_singtor_nbd0.237
p_chiral_restr0.218
p_xyhbond_nbd0.216
p_planar_d0.082
p_angle_d0.063
p_bond_d0.022
p_plane_restr0.0188
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms48034
Nucleic Acid Atoms
Solvent Atoms1169
Heterogen Atoms75

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
AMoREphasing