Data quality metrics extracted from 9kvl.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 9KVL at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
AR-NW12A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-02-18
Detector
_diffrn_detector.type
DECTRIS PILATUS3 S 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.8
Software
Data reduction #1
_software.classification
STARGazer
Data reduction #2
_software.classification
autoXDS
Data scaling
_software.classification
SCALA
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (1.19.2_4158)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
115.060 115.060 84.483 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.150004.890000.80000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.790 1.020
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700 1.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.247 0.565 0.330
  Rmeas - - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.096 0.243 0.162
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 43445 5851 11171
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.80 3.00 4.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.6 87.1 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.3 5.8 5.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.973 0.778 0.940

Refinement
PDB entry ID
_entry.id
9KVL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2024-12-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.2 - 1.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1144 / 0.1316
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4YSO