1CEA

THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH EACA (EPSILON-AMINOCAPROIC ACID)


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
1.8934.78

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 34.5α = 90
b = 51.6β = 112
c = 46.5γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray295IMAGE PLATERIGAKU RAXIS IICM
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RU200

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.0673846183.40.168
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_tor25.6
p_staggered_tor22
p_planar_tor3.8
p_scangle_it3.1
p_scbond_it2.5
p_mcangle_it1.7
p_mcbond_it1.2
p_xhyhbond_nbd0.32
p_multtor_nbd0.28
p_singtor_nbd0.23
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor25.6
p_staggered_tor22
p_planar_tor3.8
p_scangle_it3.1
p_scbond_it2.5
p_mcangle_it1.7
p_mcbond_it1.2
p_xhyhbond_nbd0.32
p_multtor_nbd0.28
p_singtor_nbd0.23
p_planar_d0.06
p_chiral_restr0.06
p_angle_d0.05
p_plane_restr0.04
p_bond_d0.02
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 Atoms1278
Nucleic Acid Atoms
Solvent Atoms148
Heterogen Atoms18

Software

Software
Software NamePurpose
RAXISdata collection
PROLSQrefinement
R-AXISdata reduction