Data quality metrics extracted from 3fmg.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 3FMG 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 24-ID-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-10
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97918
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
244.179 244.179 244.179 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97918 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 3.520
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.400 3.400
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.114 0.717
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 34017 3376
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 15.40 2.48
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.8 99.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.8 6.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3FMG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-12-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 3.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2236 / 0.2377
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 1dbm