Data quality metrics extracted from 9v6b.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 9V6B at RCSB, PDBe, PDBj

Experiment
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
J-PARC MLF BEAMLINE BL-03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
JPARC MLF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-03
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
DIFFRACTOMETER
Collection date
_diffrn_detector.pdbx_collection_date
2014-05-24
Detector
_diffrn_detector.type
iBIX
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.6-4.4
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
48.628 72.233 85.080 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.600004.40000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.690
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 1.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.194 0.509
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.104 0.318
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 38402 5355
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.60 2.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.2 93.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.1 3.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.980 0.758

Refinement
PDB entry ID
_entry.id
9V6B
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2025-05-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
16.4 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1789 / 0.2015
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