Data quality metrics extracted from 2o6n.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 2O6N 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
SSRL BEAMLINE BL9-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2000-02-28
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.000,1.2398,1.3858,1.3864
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SOLVE
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 4 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
38.356 38.356 49.679 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.239801.385801.38640 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.360 1.050
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.000 1.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.083 0.011
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 20631 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 21.09 1.26
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.0 4.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2O6N
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-12-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.4 - 1.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1150 / 0.1320
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD