Data quality metrics extracted from 3by4.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 3BY4 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 18-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
18-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-03-25
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9795
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing #1
_software.classification
SHARP (de La Fortelle; sharp-develop@globalphasing.com)
Phasing #2
_software.classification
SOLOMON (Abrahams J. P.; ccp4@dl.ac.uk)
Refinement
_software.classification
PHENIX (P.D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
46.304 73.215 88.880 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.072201.702501.045000.97950 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 37.990
High resolution limit [Å] 
_reflns.d_resolution_high
 1.550
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.037
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 44240
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 31.20
Completeness [%] 
_reflns.percent_possible_obs
 99.2
Multiplicity 
_reflns.pdbx_redundancy
 6.6
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3BY4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-01-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.0 - 1.550 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1890 / 0.2110
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD