Data quality metrics extracted from 4elg.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 4ELG at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
CAMD BEAMLINE GCPCC
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
CAMD
Beamline
_diffrn_source.pdbx_synchrotron_beamline
GCPCC
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-08-15
Detector
_diffrn_detector.type
MAR CCD 165 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.38
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Refinement
_software.classification
PHENIX (phenix.refine: 1.7.2_869)
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}
68.151 135.655 168.324 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.38000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
48.000
High resolution limit [Å]
_reflns.d_resolution_high
2.100
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.132
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
87128
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
9.70
Completeness [%]
_reflns.percent_possible_obs
95.5
Multiplicity
_reflns.pdbx_redundancy
4.1
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4ELG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-04-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.0 - 2.101 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1935 / 0.2561
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 3FL8