Data quality metrics extracted from 7eet.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 7EET 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
SLRI BEAMLINE BL7.2W
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLRI
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL7.2W
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2020-08-30
Detector
_diffrn_detector.type
RAYONIX SX-165mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97900
Software
Data reduction #1
_software.classification
Aimless (0.7.4)
Data reduction #2
_software.classification
DIALS
Data scaling
_software.classification
DIALS
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0267)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
83.547 83.547 146.329 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97900 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 59.070 59.070 2.690
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.570 8.910 2.570
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.377 0.096 1.313
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.404 0.102 1.413
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.144 0.036 0.517
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 17034 17033 744
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 7.80 - -
Completeness [%] 
_reflns.percent_possible_obs
 99.4 - -
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 14.3 11.8 13.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.981 0.998 0.709

Refinement
PDB entry ID
_entry.id
7EET
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-03-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
55.0 - 2.570 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1999 / 0.2491
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3cbw