Data quality metrics extracted from 2etd.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 2ETD 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
ALS BEAMLINE 8.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-09-09
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0163, 0.9797, 0.9796
Software
Data reduction
_software.classification
DENZO
Data scaling #1
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling #2
_software.classification
HKL-2000
Phasing #1
_software.classification
SHELX
Phasing #2
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
80.454 85.259 53.397 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.016300.979700.97960 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 30.000 2.330
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.250 4.840 2.250
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.041 0.332
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 917 549
Total number unique 
_reflns.number_obs
 8126 - -
  <I/σ(I)> - - -
Completeness [%] 
_reflns.percent_possible_obs
 90.1 - -
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.5 3.4 3.5
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2ETD
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-10-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
26.7 - 2.280 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2160 / 0.2700
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD