Data quality metrics extracted from 1mdg.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 1MDG 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
APS BEAMLINE 14-BM-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14-BM-D
Temperature [K]
_diffrn.ambient_temp
105
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-05-31
Detector
_diffrn_detector.type
ENRAF-NONIUS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9195, 0.9192, 0.800
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 4 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
35.956 35.956 38.045 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.919500.919200.80000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 1.550
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.500 1.500
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.056 0.309
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 3800 364
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 98.6
Multiplicity 
_reflns.pdbx_redundancy
 41.7 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1MDG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2002-08-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1720 / 0.1940
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD