Data quality metrics extracted from 7pgg.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 7PGG 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
ALS BEAMLINE 8.3.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.3.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-09-19
Detector
_diffrn_detector.type
MAR CCD 130 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.115869, 0.97698, 0.97953, 0.95368
Software
Data scaling #1
_software.classification
Aimless
Data scaling #2
_software.classification
XDS
Model building
_software.classification
Coot
Refinement #1
_software.classification
REFMAC (5)
Refinement #2
_software.classification
PHENIX (1.17.1_3660)
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}
157.471 157.471 106.394 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.115870.976980.979530.95368 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.953
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.850 2.852
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.169 -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 31433 3087
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 15.40 -
Completeness [%] 
_reflns.percent_possible_obs
 99.0 -
Multiplicity 
_reflns.pdbx_redundancy
 16.2 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.473

Refinement
PDB entry ID
_entry.id
7PGG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-08-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
15.0 - 2.850 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2664 / 0.2781
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD