Data quality metrics extracted from 3tyr.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 3TYR 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU FR-E+ SUPERBRIGHT
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-F
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2010-09-21
Detector
_diffrn_detector.type
RIGAKU RAXIS IV
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.29
Software
Data collection
_software.classification
StructureStudio
Data reduction
_software.classification
HKL-3000
Data scaling
_software.classification
HKL-3000
Phasing
_software.classification
PHENIX
Model building
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (phenix.refine: dev_842)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
52.246 53.022 55.580 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978722.29000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.730
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.699 1.699
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.053 0.334
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 17248 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 30.20 3.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.9 96.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.1 4.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3TYR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-09-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.4 - 1.699 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1574 / 0.1981
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD