Data quality metrics extracted from 7asu.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 7ASU at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
DIAMOND BEAMLINE I03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I03
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-02-13
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97965, 0.97980, 0.971970
Software
Data reduction
_software.classification
xia2 (0.3.8.0)
Data scaling
_software.classification
xia2 (0.3.8.0)
Phasing
_software.classification
PHENIX (1.18.1-3865)
Refinement
_software.classification
PHENIX (1.18.1-3865)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
56.30 56.30 275.88 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.919800.979650.979800.97197 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.010 2.310
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.230 2.230
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.050 0.749
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 13725 959
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 26.90 -
Completeness [%] 
_reflns.percent_possible_obs
 100.0 -
Multiplicity 
_reflns.pdbx_redundancy
 27.4 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
7ASU
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-10-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.0 - 2.230 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1800 / 0.2200
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD