Data quality metrics extracted from 1i6o.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 1I6O 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
ALS BEAMLINE 5.0.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
1999-11-08
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96112,0.97950,0.97970,1.07812,1.28109
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
81.244 81.244 162.137 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.961120.979500.979701.078121.28109 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.000 2.250
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.130 2.130
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.054 0.255
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 237761 4186
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 25.20 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.0 94.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.7 6.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1I6O
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-03-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.4 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2120 / 0.2430
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD