Data quality metrics extracted from 8g50.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 8G50 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 14-ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14-ID-B
Temperature [K]
_diffrn.ambient_temp
278
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2021-04-02
Detector
_diffrn_detector.type
RAYONIX MX340-HS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.02 - 1.18
Software
Data reduction
_software.classification
Precognition (5.2.2)
Data scaling
_software.classification
careless (0.2.0)
Phasing
_software.classification
PHENIX (1.19.2_4158)
Refinement
_software.classification
PHENIX (1.19.2_4158)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
34.286 45.530 98.995 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.020001.18000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 41.360 1.760
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 33671 3292
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.27 7.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 99.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 18.6 14.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.987 0.927

Refinement
PDB entry ID
_entry.id
8G50
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-02-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.4 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.3064 / 0.3501
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS