Data quality metrics extracted from 3fhn.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 3FHN 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
NSLS BEAMLINE X29A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X29A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-04-01
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792, 0.9794, 0.9640
Software
Data collection
_software.classification
CBASS
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHELXS
Refinement
_software.classification
CNS (1.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
85.48 111.62 149.84 77.09 88.12 70.35
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979200.979400.96400 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 3.110
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.000 3.000
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.077 0.497
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 99867 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 2.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.5 98.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.7 3.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3FHN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-12-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.9 - 3.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2200 / 0.2650
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD