Data quality metrics extracted from 6m6r.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 6M6R 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
APS BEAMLINE 24-ID-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-04-19
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.2819
Software
Data reduction
_software.classification
iMOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SHELX
Refinement
_software.classification
PHENIX (1.14_3260: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
56.843 56.843 131.750 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.28190 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 43.040 1.930
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.890 1.890
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.142 1.715
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.158 1.950
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 17289 984
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 12.00 1.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.3 88.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.2 7.5
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.996 0.378

Refinement
PDB entry ID
_entry.id
6M6R
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-03-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
43.0 - 1.890 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1777 / 0.2213
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD