Data quality metrics extracted from 1ywf.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 1YWF 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
ALS BEAMLINE 8.3.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.3.1
Temperature [K]
_diffrn.ambient_temp
93
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-11-06
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.1157, 0.97949, 0.97973, 0.93927
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
REFMAC (5.1.24)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 41
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
113.068 113.068 53.292 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.115700.979490.979730.93927 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 79.000 1.760
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.041 -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 33939 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 66.70 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 91.2 48.6
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1YWF
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-02-17
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
79.0 - 1.710 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1757 / 0.2136
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD