Data quality metrics extracted from 6m1u.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 6M1U 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
PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-17A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-06-11
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.13_2998)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
139.61 139.61 53.13 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.641 48.641 2.860
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.790 12.480 2.790
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.343 0.065 4.761
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.346 0.065 4.791
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 410237 4218 29118
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 5022 65 356
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.68 66.17 1.26
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 97.0 98.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 81.7 64.9 81.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.634

Refinement
PDB entry ID
_entry.id
6M1U
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-02-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.6 - 2.791 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2336 / 0.2630
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD