Data quality metrics extracted from 8p1o.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 8P1O 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
ALBA BEAMLINE XALOC
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALBA
Beamline
_diffrn_source.pdbx_synchrotron_beamline
XALOC
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-12-04
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97926
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.9.)
Phasing
_software.classification
PHASER (2.8.3.)
Refinement #1
_software.classification
REFMAC (5.8.0405)
Refinement #2
_software.classification
REFMAC (5.8.0405)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
52.088 109.991 51.823 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97926 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.880 46.880 2.240
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.170 8.950 2.170
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.144 0.055 0.762
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.173 0.065 0.905
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.094 0.035 0.484
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 16333 280 1376
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 6.80 - -
Completeness [%] 
_reflns.percent_possible_obs
 99.7 - -
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.0 5.3 6.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.993 0.999 0.734

Refinement
PDB entry ID
_entry.id
8P1O
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-05-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.9 - 2.170 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2708 / 0.2894
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