Data quality metrics extracted from 2iaa.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 2IAA 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
APS BEAMLINE 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-06-07
Detector
_diffrn_detector.type
SBC
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.381, 1.445
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MOLREP
Refinement
_software.classification
CNS (1.1)
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}
67.216 131.722 133.204 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.381001.44500 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 47.040
High resolution limit [Å] 
_reflns.d_resolution_high
 1.950
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.059
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 80127
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.80
Completeness [%] 
_reflns.percent_possible_obs
 78.0
Multiplicity 
_reflns.pdbx_redundancy
 2.6
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
2IAA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-09-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.0 - 1.950 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1740 / 0.2050
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD