Data quality metrics extracted from 1yry.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 1YRY at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
LNLS BEAMLINE D03B-MX1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
LNLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
D03B-MX1
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-08-04
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.427
Software
Data reduction
_software.classification
MOSFLM
Data scaling #1
_software.classification
SCALA
Data scaling #2
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
AMoRE
Refinement
_software.classification
X-PLOR
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
138.99 138.99 159.85 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.431001.42700 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 56.790 2.950
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.800 2.800
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.089 0.299
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 56880 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.00 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.9 3.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1YRY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-02-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
7.0 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2070 / 0.2900
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1PWY