Data quality metrics extracted from 2iph.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 2IPH 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
ESRF BEAMLINE ID23-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-1
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-04-05
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97625,0.97925,0.97955
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
Phasing #1
_software.classification
SOLVE (2.08; 14-Sept-2004; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (Terwilliger, T. C; terwilliger@LANL.gov)
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
49.497 84.106 121.471 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.976250.979250.979550.93400 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 36.491 40.490 1.790
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 5.380 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.053 0.032 0.623
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_all
 - 11332 38859
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 55934 1912 7504
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.90 19.00 1.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.8 97.3 92.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.7 5.9 5.2
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2IPH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-10-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.4 - 1.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2040 / 0.2210
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD