Data quality metrics extracted from 2h3b.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 2H3B 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 23-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-D
Temperature [K]
_diffrn.ambient_temp
200.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-12-03
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9797,0.9796,1.0107
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
60.75 107.49 82.96 90.00 97.47 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979700.979601.01070 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.010
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.940 1.940
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.110 0.392
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 77921 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.90 3.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 96.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.3 5.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2H3B
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-05-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.2 - 1.950 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1910 / 0.2150
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD