Data quality metrics extracted from 3bdl.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 3BDL 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
SPRING-8 BEAMLINE BL12B2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL12B2
Temperature [K]
_diffrn.ambient_temp
123
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-03-07
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979389, 0.979545, 0.964305
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
97.405 91.929 88.042 90.00 91.26 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979390.979540.96430 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 23.330 1.890
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.820 1.820
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.060 0.522
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 68052 6713
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 15.00 2.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.8 97.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.5 2.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3BDL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2007-11-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
23.3 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1750 / 0.2090
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD