Data quality metrics extracted from 6i1m.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 6I1M 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
BESSY BEAMLINE 14.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BESSY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-03-29
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9184, 1.5
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
SHELXDE
Refinement
_software.classification
REFMAC (5.8.0232)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
64.878 67.177 44.493 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.918401.50000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.670 46.670 1.690
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 4.770 1.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.158 0.052 1.921
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.172 0.057 2.086
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all
 87605 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 13043 553 2058
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.94 27.57 0.88
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.4 99.5 97.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.7 5.9 6.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.998 0.434

Refinement
PDB entry ID
_entry.id
6I1M
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-10-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.7 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2167 / 0.2616
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS