Data quality metrics extracted from 2gnn.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 2GNN 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
SLS BEAMLINE X06SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-07-31
Detector
_diffrn_detector.type
MAR CCD 165 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.698383
Software
Data collection
_software.classification
MAR345
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing
_software.classification
SHELXD
Refinement
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
98.6 98.6 240.0 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000171.69838 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.480 2.400
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.081 0.799
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 39132
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 52820 6199
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.58 3.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.4 98.4
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2GNN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-04-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2230 / 0.2470
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD