Data quality metrics extracted from 2ipi.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 2IPI 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
EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
EMBL/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW7B
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2006-02-24
Detector
_diffrn_detector.type
MAR scanner 345 mm plate
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.8423, 0.9793, 0.9797, 0.9392
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing #1
_software.classification
SOLVE (2.09; 25-Apr-2005; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.09; 25-Apr-2005; Terwilliger, T. C; terwilliger@LANL.gov)
Refinement #1
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
Refinement #2
_software.classification
SHELXL-97
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}
68.5 266.2 68.7 90.0 119.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.842300.979300.979700.93920 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.700
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.650 1.650
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.081 0.371
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 246742 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.50 3.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.9 57.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.6 3.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2IPI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-10-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.650 Å
R
_refine.ls_R_factor_obs
0.1850
WARNING: no Rwork given
Rfree
_refine.ls_R_factor_R_free
0.2420
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD