Data quality metrics extracted from 5i7x.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 5I7X 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
SSRF BEAMLINE BL17U
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL17U
Temperature [K]
_diffrn.ambient_temp
173
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2014-11-01
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97916
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
24.64 34.00 39.49 68.56 74.31 72.95
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97916 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 18.067 18.067 1.179
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.175 5.406 1.175
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.089 0.073 0.401
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.112 0.090 0.512
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.066 0.052 0.316
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 83751 668 842
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 32239 273 331
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 5.80 6.50 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 86.3 72.0 87.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.6 2.4 2.5
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.984 0.980 0.863

Refinement
PDB entry ID
_entry.id
5I7X
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-02-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
18.1 - 1.175 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1520 / 0.1681
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given