Data quality metrics extracted from 3on5.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 3ON5 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
SSRL BEAMLINE BL11-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL11-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-06-04
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.978954,0.918370
Software
Data processing
_software.classification
SCALA (3.3.15; 2009/03/31; Phil R. Evans; pre@mrc-lmb.cam.ac.uk)
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing #1
_software.classification
Rosetta
Phasing #2
_software.classification
PHASER
Phasing #3
_software.classification
autoSHARP
Refinement #1
_software.classification
BUSTER-TNT (BUSTER 2.8.0; Gerard Bricogne; buster-develop@GlobalPhasing.com)
Refinement #2
_software.classification
BUSTER (2.8.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
94.244 94.244 245.536 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978950.91837 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 94.244 94.244 2.950
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.800 8.850 2.800
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.130 0.011 0.011
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_all
 - 6406 25727
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 28218 1048 4044
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 12.60 20.90 0.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.6 99.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.5 6.1 6.4
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3ON5
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-08-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
94.2 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1947 / 0.2218
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD + MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2WE8