Data quality metrics extracted from 3imn.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 3IMN 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
PAL/PLS BEAMLINE 6B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
PAL/PLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
6B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-03-28
Detector
_diffrn_detector.type
Bruker AXIOM 200
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97905, 0.97924, 0.97136
Software
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
116.921 68.712 61.306 90.0 105.9 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.979050.979240.97136 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 58.930 50.000 1.860
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.800 3.880 1.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.057 0.043 0.178
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all
 177991 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 40417 4443 2415
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 21.30 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 92.2 99.1 55.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.4 5.0 3.2
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3IMN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-08-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.1 - 1.810 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1790 / 0.2160
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD