Data quality metrics extracted from 7ucr.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 7UCR 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
100
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2020-01-29
Detector
_diffrn_detector.type
ORNL ANGER CAMERA
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.0-4.0
Software
Data reduction
_software.classification
PROTEUM PLUS
Data scaling
_software.classification
PROTEUM PLUS
Phasing
_software.classification
PHENIX (1.18.2_3874)
Refinement
_software.classification
PHENIX (1.18.2_3874)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
29.495 29.495 76.520 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.342002.000004.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 16.050 2.330 1.033
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 0.998 2.250 0.998
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.055 0.299 0.412
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 35326 771 3461
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 21.66 - -
Completeness [%] 
_reflns.percent_possible_obs
 99.7 - -
Multiplicity 
_reflns.pdbx_redundancy
 13.7 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.300 0.849

Refinement
PDB entry ID
_entry.id
7UCR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-03-17
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
12.3 - 2.250 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2543 / 0.2987
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3DVZ