Data quality metrics extracted from 5mpt.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 5MPT 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
SLS BEAMLINE X06DA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06DA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-09-09
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97929
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing #1
_software.classification
SHELXDE
Phasing #2
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.10_2155: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
98.37 98.37 133.43 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.999981.907470.97929 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 71.804 2.100 1.690
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.648 2.050 1.648
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.080 1.029 1.596
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs
 57453 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.61 1.38 1.37
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.9 81.7 94.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.6 2.6 6.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.711 0.760

Refinement
PDB entry ID
_entry.id
5MPT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-12-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
71.8 - 1.648 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1872 / 0.2173
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD