Data quality metrics extracted from 7ah0.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 7AH0 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
80
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-06-24
Detector
_diffrn_detector.type
DECTRIS EIGER2 XE 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9762, 1.741, 1.738, 1.698
Software
Data reduction
_software.classification
xia2 (3ii)
Data scaling
_software.classification
xia2 (3ii)
Phasing
_software.classification
SHELXDE (2013/2)
Refinement
_software.classification
REFMAC (5.8.0258)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
81.25 81.25 59.06 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.976201.741001.738001.69800 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.620 1.960
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.910 1.910
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.129 1.602
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 11214 751
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.10 1.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.5 99.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.7 10.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
7AH0
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-09-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.2 - 1.910 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2130 / 0.2190
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD