Data quality metrics extracted from 6myn.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 6MYN 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
DIAMOND BEAMLINE I04-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I04-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2012-08-14
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9173
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALA (3.3.20)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.12-2829_final)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
143.22 143.22 46.41 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.91730 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.150 44.150 2.820
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.744 12.270 2.744
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.086 0.024 0.690
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.106 0.029 0.816
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.041 0.012 0.310
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 25142 316 1828
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.00 27.00 1.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 98.2 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.6 6.1 6.9
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
6MYN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-11-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
42.2 - 2.744 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1795 / 0.2550
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS