Data quality metrics extracted from 8dhd.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 8DHD at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
SPALLATION SOURCE
Source details
_diffrn_source.type
ORNL Spallation Neutron Source BEAMLINE MANDI
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ORNL Spallation Neutron Source
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MANDI
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2020-01-01
Detector
_diffrn_detector.type
MAATEL IMAGINE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.78-4.50
Software
Data reduction
_software.classification
CrysalisPro
Data scaling
_software.classification
LAUENORM
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.13_2998)
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}
35.915 56.340 90.001 90.00 94.25 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541802.780004.50000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 89.750 2.210 1.760
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 2.100 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.124 0.300 0.378
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.120 0.347 0.400
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.020 0.168 0.090
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 39602 1628 3961
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 51.66 - 9.85
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 - 99.9
Multiplicity 
_reflns.pdbx_redundancy
 19.9 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.990 0.960 0.960

Refinement
PDB entry ID
_entry.id
8DHD
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-06-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.8 - 2.106 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2447 / 0.2724
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6DTS