Data quality metrics extracted from 3r9b.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 3R9B 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
DIAMOND BEAMLINE I04
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I04
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-02-03
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9108, 1.7394, 1.7423, 1.7035
Software
Data collection
_software.classification
GDA
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SHELXS
Refinement
_software.classification
REFMAC (5.5.0109)
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}
178.396 102.776 92.412 90.00 90.06 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.910801.739401.742301.70350 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 92.450 1.960
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.890 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.065 0.676
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 131656 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 2.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.7
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 7.3
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3R9B
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-03-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
92.5 - 1.890 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1831 / 0.2019
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD