Data quality metrics extracted from 7fbd.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 7FBD 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
RIGAKU MICROMAX-007 HF
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-06-18
Detector
_diffrn_detector.type
DECTRIS PILATUS 200K
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5406
Software
Data reduction
_software.classification
HKL-3000
Data scaling
_software.classification
SCALA (0.7.4)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.10)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
158.469 158.469 266.194 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54060 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 89.030 89.030 2.750
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.605 8.240 2.610
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.506 0.358 1.506
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.522 0.368 1.564
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.125 0.084 0.421
Total number of observations 
_reflns_shell.number_measured_all
 - 24056 79709
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 29930 1375 5820
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 5.70 8.90 2.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.9 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 16.8 17.5 13.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.973 0.976 0.792

Refinement
PDB entry ID
_entry.id
7FBD
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-07-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
13.1 - 2.850 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2284 / 0.2773
Structure solution method
_refine.pdbx_method_to_determine_struct
MIR