Data quality metrics extracted from 1ryl.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 1RYL 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
APS BEAMLINE 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-12-12
Detector
_diffrn_detector.type
SBC-2
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9795,0.9797,0.94656
Software
Data collection
_software.classification
SBC-Collect
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
103.848 60.455 57.931 90.00 114.62 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979500.979700.94656 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.660
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 1.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.055 0.372
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 78702 4690
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 15.85 1.22
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.2 55.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.4 1.3
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1RYL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-12-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.2 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2120 / 0.2590
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD