Data quality metrics extracted from 4jec.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 4JEC at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
OTHER
Beamline
_diffrn_source.pdbx_synchrotron_beamline
LADI-III
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2012-10-02
Detector
_diffrn_detector.type
MAATEL CYLINDRICAL
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.8-4.0
Software
Data collection
_software.classification
MAATEL
Data reduction
_software.classification
LAUEGEN
Data scaling
_software.classification
LSCALE
Phasing
_software.classification
CNS
Refinement
_software.classification
nCNS (1.0.0; 2008; Marat Mustyakimov; marat@lanl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
59.186 87.431 46.405 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.540002.800004.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 59.110 2.110
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.128 0.269
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 12800 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.50 4.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 50.9 64.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 3.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4JEC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-02-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2440 / 0.2610
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given