Data quality metrics extracted from 4da2.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 4DA2 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 ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2008-05-11
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9793, 0.9795, 0.9755
Software
Data collection
_software.classification
GDA
Data reduction
_software.classification
MOSFLM (Andrew G.W. Leslie; andrew@mrc-lmb.cam.ac.uk)
Data scaling
_software.classification
SCALA (Phil R. Evans; pre@mrc-lmb.cam.ac.uk)
Phasing #1
_software.classification
SOLVE (Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (Thomas C. Terwilliger; terwilliger@lanl.gov)
Refinement
_software.classification
REFMAC (5.5.0102; Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
46.017 46.017 194.575 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.975560.979300.979500.97550 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 64.800 1.900
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.800 1.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.080 0.450
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 42809 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.1 6.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4DA2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-01-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
196.2 - 1.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1361 / 0.1716
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD