Data quality metrics extracted from 6unw.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 6UNW 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
LNLS BEAMLINE W01B-MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
LNLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
W01B-MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-10-25
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.45
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.2.8)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (18.1-3865)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
106.733 106.733 233.039 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.45000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.520 48.520 2.260
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.210 10.370 2.210
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.120 0.035 1.242
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.124 0.037 1.297
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.030 0.009 0.365
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 1184544 11154 50856
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 67798 786 4280
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 21.20 54.30 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.5 98.6 95.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 17.5 14.2 11.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.706

Refinement
PDB entry ID
_entry.id
6UNW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 2.210 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1867 / 0.2272
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2E3J