Data quality metrics extracted from 1ndn.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.


Experimental information for 1NDN at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
  The method used in the experiment.
Source type
_diffrn_source.source
ROTATING ANODE
  The general class of the radiation source.
Temperature [K]
_diffrn.ambient_temp
298.00
  The mean temperature in kelvins at which the intensities were
  measured.
Detector technology
_diffrn_detector.detector
DIFFRACTOMETER
  The general class of the radiation detector.
Detector
_diffrn_detector.type
RIGAKU AFC-5R
  The make, model or name of the detector device used.
Software
Phasing
_software.classification
ULTIMA
  The classification of the program according to its
  major function.
Model building
_software.classification
ULTIMA
  The classification of the program according to its
  major function.
Refinement
_software.classification
NUCLSQ
  The classification of the program according to its
  major function.
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
  Hermann-Mauguin space-group symbol. Note that the
  Hermann-Mauguin symbol does not necessarily contain complete
  information about the symmetry and the space-group origin. If
  used, always supply the FULL symbol from International Tables
  for Crystallography Vol. A (2002) and indicate the origin and
  the setting if it is not implicit. If there is any doubt that
  the equivalent positions can be uniquely deduced from this
  symbol, specify the _symmetry_equiv.pos_as_xyz or
  _symmetry.space_group_name_Hall data items as well. Leave
  spaces between symbols referring to
  different axes.
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
25.99
  Unit-cell length a corresponding to the structure reported in
  angstroms.
44.03
  Unit-cell length b corresponding to the structure reported in
  angstroms.
66.62
  Unit-cell length c corresponding to the structure reported in
  angstroms.
90.0
  Unit-cell angle alpha of the reported structure in degrees.
90.0
  Unit-cell angle beta of the reported structure in degrees.
90.0
  Unit-cell angle gamma of the reported structure in degrees.
Wavelength
_diffrn_radiation_wavelength.wavelength
NA

Data quality metricsOverall
  Low resolution limit [Å] -
High resolution limit [Å]
_reflns.d_resolution_high
3.000
  The smallest value in angstroms for the interplanar spacings
  for the reflection data. This is called the highest resolution.
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
553
  The number of reflections in the REFLN list (not the DIFFRN_REFLN
  list) classified as observed (see _reflns.observed_criterion).
  This number may contain Friedel-equivalent reflections according
  to the nature of the structure and the procedures used.
  <I/σ(I)> -
  Completeness [%] -
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1NDN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1992-01-15