Data quality metrics extracted from 4goa.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 4GOA 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
ELETTRA BEAMLINE 5.2R
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ELETTRA
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.2R
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2009-06-25
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Software
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
_software.classification
PHASER (Randy J. Read; cimr-phaser@lists.cam.ac.uk)
Refinement
_software.classification
REFMAC (5.5.0109; Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 63 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
139.490 139.490 198.081 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
NA

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
30.000
High resolution limit [Å]
_reflns.d_resolution_high
2.200
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.181
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
57689
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
9.00
Completeness [%]
_reflns.percent_possible_obs
97.1
Multiplicity
_reflns.pdbx_redundancy
6.1
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4GOA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-08-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.9 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1608 / 0.2103
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3LA4