Data quality metrics extracted from 1a8e.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.


Experimental information for 1A8E at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU RUH2R
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1990-05
Detector
_diffrn_detector.type
RIGAKU RAXIS IIC
Software
Data collection
_software.classification
R-AXIS (SOFTWARE)
Data reduction
_software.classification
R-AXIS (SOFTWARE)
Data scaling
_software.classification
R-AXIS
Refinement
_software.classification
TNT (5E)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
45.12 57.91 135.64 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
30.000
High resolution limit [Å]
_reflns.d_resolution_high
1.600
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.061
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
39418
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
14.60
Completeness [%]
_reflns.percent_possible_obs
82.4
Multiplicity
_reflns.pdbx_redundancy
1.8
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1A8E
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-03-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.600 Å
Rwork
_refine.ls_R_factor_R_work
0.1810
WARNING: no Rfree given (but Rwork)!?
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
RABBIT TRANSFERRIN