Data quality metrics extracted from 3etw.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 3ETW 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 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-01-14
Detector
_diffrn_detector.type
NOIR-1
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.92871, 0.91999, 0.91979
Software
Data collection
_software.classification
HKL-2000
Data reduction #1
_software.classification
DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data reduction #2
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing
_software.classification
SOLVE (2.06; 28-Dec-2003; Tom Terwilliger; 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 61
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
59.340 59.340 126.374 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.033200.928710.919990.91979 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.700 2.070
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.045 0.275
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 15871 1068
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 2.81
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.0 63.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.6 4.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3ETW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-10-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.7 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2250 / 0.2540
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD