Data quality metrics extracted from 7lb7.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 7LB7 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
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2020-10-15
Detector
_diffrn_detector.type
ORNL ANGER CAMERA
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.0 - 4.16
Software
Data reduction #1
_software.classification
CrysalisPro
Data reduction #2
_software.classification
Mantid
Data scaling #1
_software.classification
CrysalisPro
Data scaling #2
_software.classification
LAUENORM
Phasing
_software.classification
PHASER
Refinement
_software.classification
nCNS (1.0.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
110.558 55.691 48.808 90.00 101.31 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541802.000004.16000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 54.210 2.490 2.050
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.400 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.082 0.336 0.544
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 19852 888 1854
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.90 3.10 1.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.3 77.4 93.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.2 2.7 4.0
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
7LB7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-01-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
14.9 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2160 / 0.2280
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6XQS