Data quality metrics extracted from 7pt2.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 7PT2 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
DIAMOND BEAMLINE I03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I03
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-07-11
Detector
_diffrn_detector.type
DECTRIS EIGER2 XE 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9763
Software
Data reduction
_software.classification
autoPROC
Data scaling
_software.classification
STARANISO
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.8.0267)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
103.674 145.481 174.198 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97630 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 87.099 1.961
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.762 1.762
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.103 1.382
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.031 0.433
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 83716 4186
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 15.00 1.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.4 71.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.9 11.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.736

Refinement
PDB entry ID
_entry.id
7PT2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-09-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
87.1 - 1.762 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1466 / 0.1854
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS