Data quality metrics extracted from 3b29.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 3B29 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 BL26B2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL26B2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-02-07
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97909, 0.97938, 0.97600, 0.98300
Software
Data collection
_software.classification
BSS
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SOLVE
Refinement
_software.classification
REFMAC (5.5.0109)
General information
Spacegroup name
_symmetry.space_group_name_H-M
F 2 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
168.594 168.594 168.594 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979090.979380.976000.98300 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 26.600
High resolution limit [Å] 
_reflns.d_resolution_high
 3.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.125
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 6018
  <I/σ(I)> -
Completeness [%] 
_reflns.percent_possible_obs
 89.9
Multiplicity 
_reflns.pdbx_redundancy
 22.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3B29
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-07-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
25.4 - 3.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2029 / 0.2095
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD