Data quality metrics extracted from 7az9.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 7AZ9 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
NUCLEAR REACTOR
Source details
_diffrn_source.type
ILL BEAMLINE LADI III
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ILL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
LADI III
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2018-03-28
Detector
_diffrn_detector.type
CUSTOM-MADE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.7-3.5
Software
Data reduction #1
_software.classification
XDS
Data reduction #2
_software.classification
LAUEGEN
Data scaling #1
_software.classification
XSCALE
Data scaling #2
_software.classification
SCALA
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.11.1_2575)
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}
98.323 52.678 58.665 90.00 117.86 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.890002.700003.50000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.010 1.900 1.160
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.100 1.800 1.100
  Rmerge - - -
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.043 0.514 0.960
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 104600 776 15549
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.77 2.50 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.0 - 88.9
Multiplicity 
_reflns.pdbx_redundancy
 3.2 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.666 0.663

Refinement
PDB entry ID
_entry.id
7AZ9
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-11-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.6 - 1.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2201 / 0.2593
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2vxn