Data quality metrics extracted from 2i2x.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 2I2X at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
MPG/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW6
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-09-15
Detector
_diffrn_detector.type
MAR CCD 165 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.2824
Software
Data collection
_software.classification
ADSC (QUANTUM)
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
SHELXD
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
101.75 172.85 190.54 90.00 98.86 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.939301.28240 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.650
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.500 2.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.133 0.445
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 218403 31920
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 9.40 3.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.3 89.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.6 2.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2I2X
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-08-17
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1818 / 0.2315
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD