Data quality metrics extracted from 6v17.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 6V17 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
ROTATING ANODE
Source details
_diffrn_source.type
Cu FINE FOCUS
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2019-02-05
Detector
_diffrn_detector.type
RIGAKU SATURN 944
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
DIALS
Data scaling
_software.classification
Aimless (0.5.1)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.14-3260_3260)
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}
41.102 64.749 96.107 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 64.750 64.750 2.110
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.050 8.940 2.050
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.106 0.079 0.648
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.115 0.087 0.723
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.044 0.036 0.315
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 107062 1354 5208
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 16528 250 1078
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 7.50 14.70 2.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.8 99.2 86.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.5 5.4 4.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.995 0.990 0.568

Refinement
PDB entry ID
_entry.id
6V17
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-11-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.6 - 2.050 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2091 / 0.2412
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6PPA