Data quality metrics extracted from 4idm.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 4IDM at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-07-22
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979231, 0.953698, 0.979083
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SHELXS
Refinement
_software.classification
REFMAC (5.7.0029)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 6 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
162.945 162.945 96.227 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979230.953700.97908 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 39.780 39.780 2.630
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.500 7.900 2.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.226 0.091 0.774
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 26403 959 3599
  <I/σ(I)> - - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.1 98.1
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 99.1 63.4
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4IDM
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-12-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.8 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1443 / 0.2070
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD