Data quality metrics extracted from 3q2i.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 3Q2I 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-BM
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-BM
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-11-14
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97918,0.97953,0.97150
Software
Data collection
_software.classification
HKL-3000
Data reduction
_software.classification
HKL-3000
Data scaling
_software.classification
HKL-3000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
REFMAC (5.5.0066)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 4 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
106.711 106.711 143.356 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979210.979180.979530.97150 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 1.530
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.500 1.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.059 0.283
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 63793 2893
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 47.40 2.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.9 87.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.0 2.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3Q2I
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-12-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2009 / 0.2359
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD