Data quality metrics extracted from 3dfz.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 3DFZ 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
NSLS BEAMLINE X29A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X29A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-06-09
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0772, 1.0723, 1.0540
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing #1
_software.classification
SOLVE (2.03; 20-Sept-2002; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (Thomas C. Terwilliger; terwilliger@lanl.gov)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
108.595 108.595 201.028 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.540001.077201.072301.05400 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 99.000 99.000 2.380
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 4.950 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.062 0.037 0.352
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 20508 2151 1924
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 18.10 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 98.8 94.7
  Multiplicity - - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3DFZ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-06-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2109 / 0.2747
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD