Data quality metrics extracted from 6z1d.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 6Z1D at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
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
2013-02-09
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.68745
Software
Data reduction
_software.classification
XDS (VERSION September 26, 2012)
Data scaling
_software.classification
SCALA (3.3.16)
Phasing
_software.classification
SHELXDE (Version 2006/3)
Refinement
_software.classification
PHENIX (1.8.2)
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}
111.990 111.990 283.818 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.68745 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.990 48.990 2.850
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.705 8.550 2.705
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.064 0.017 0.624
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.069 0.022 0.658
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.015 0.005 0.148
Total number of observations 
_reflns.pdbx_number_measured_all
 375979 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 19125 674 2738
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 37.20 35.00 1.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.6 99.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 19.7 19.3 19.3
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
6Z1D
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-05-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.6 - 2.705 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2159 / 0.2585
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD