Data quality metrics extracted from 3f51.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 3F51 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
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
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2007-11-09
Detector
_diffrn_detector.type
PHILLIPS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9790,0.9793,0.9717
Software
Data collection
_software.classification
RemDAq
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.2.0019)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
65.44 84.82 71.43 90.00 95.87 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.979000.979300.97170 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.000 2.150
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.050 2.050
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.052 0.699
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 48625 6411
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.00 2.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.7 3.7
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3F51
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-11-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.7 - 2.050 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2123 / 0.2380
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD