Data quality metrics extracted from 6x1m.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 6X1M 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
ALS BEAMLINE 5.0.3
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.3
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2017-11-09
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9765
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.17_3644)
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}
185.769 185.769 159.773 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97650 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 3.310
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.250 8.810 3.250
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.492 0.067 2.536
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.535 0.072 2.892
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.207 0.027 1.330
Total number of observations 
_reflns.pdbx_number_measured_all
 104716 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 16306 892 606
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 1.90 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.5 100.0 72.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.4 7.1 3.2
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.998 0.147

Refinement
PDB entry ID
_entry.id
6X1M
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-05-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.4 - 3.510 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2112 / 0.3077
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB 6WYS