Data quality metrics extracted from 5m86.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 5M86 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
ESRF BEAMLINE ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-02-14
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97901,0.97916,0.97670
Software
Data reduction
_software.classification
XDS
Data scaling #1
_software.classification
Aimless (0.1.27)
Data scaling #2
_software.classification
XSCALE
Phasing #1
_software.classification
RESOLVE (2.13)
Phasing #2
_software.classification
SHELXD
Refinement
_software.classification
PHENIX
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}
228.639 112.821 221.328 90.0 118.7 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979010.979160.97670 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.170 2.430
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.390 2.390
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.077 0.703
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.090 -
Rpim 
_reflns.pdbx_Rpim_I_all
 0.048 -
Total number of observations 
_reflns.pdbx_number_measured_all
 663454 -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 191535 8492
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.60 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.7 88.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.5 3.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.621

Refinement
PDB entry ID
_entry.id
5M86
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-10-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.7 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1765 / 0.2026
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD