Data quality metrics extracted from 2hdz.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 2HDZ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
BSRF BEAMLINE 3W1A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
3W1A
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-05-03
Detector
_diffrn_detector.type
MAR CCD 165 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97985
Software
Data collection
_software.classification
ADSC
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing #1
_software.classification
SOLVE (2.09; 25-Apr-2005; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.09; 25-Apr-2005; Terwilliger, T. C; terwilliger@LANL.gov)
Refinement
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
60.812 60.812 63.158 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.936300.97985 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 2.030
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
 0.046 0.185
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 8917 431
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 35.60 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.3 93.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.1 10.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2HDZ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-06-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2170 / 0.2670
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD