Data quality metrics extracted from 3fnv.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 3FNV 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
SSRL BEAMLINE BL9-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-12-15
Detector
_diffrn_detector.type
MARMOSAIC 325 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.7418, 1.3624, 1.7372
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing #1
_software.classification
SHARP (Eric de La Fortelle; sharp-develop@globalphasing.com)
Phasing #2
_software.classification
RESOLVE (2.13; 6-Mar-2008; Thomas C. Terwilliger; terwilliger@lanl.gov)
Phasing #3
_software.classification
SHELX
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
40.904 48.579 74.104 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.741801.362401.73720 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.560 1.860
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
 0.143 1.790
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 18126
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 14086 1285
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.17 1.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.6 97.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 25.9 17.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3FNV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-12-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.1 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1700 / 0.2160
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD