Data quality metrics extracted from 1s9b.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 1S9B 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
ESRF BEAMLINE BM14
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM14
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-09-10
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.48475, 1.48563, 1.31155
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHELXD
Model building
_software.classification
SHELXE
Refinement
_software.classification
REFMAC (5.1.24)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
70.867 70.867 70.867 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.484751.485631.31155 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 22.400
High resolution limit [Å] 
_reflns.d_resolution_high
 2.810
Rmerge 
_reflns.pdbx_Rsym_value
 0.095
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 1491
  <I/σ(I)> -
Completeness [%] 
_reflns.percent_possible_obs
 97.4
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1S9B
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-02-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
22.4 - 2.810 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2810 / 0.2643
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD
Starting model
_refine.pdbx_starting_model
ideal B-DNA