Data quality metrics extracted from 5f28.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 5F28 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
ESRF BEAMLINE ID23-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-04-11
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.8729
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (dev_2196)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 42 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
139.21 139.21 90.35 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.87290 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
49.220 3.080
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
2.900 2.900
Rmerge
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
0.344 1.559
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
37566 -
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
8.70 1.90
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
100.0 100.0
Multiplicity
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
13.7 13.7
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
5F28
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-12-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
43.2 - 2.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2084 / 0.2354
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entries 1K40 (FAT) and 3KOV (MEF2)