Data quality metrics extracted from 3ln6.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 3LN6 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
ESRF BEAMLINE ID14-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID14-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-07-12
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9330
Software
Data processing
_software.classification
XSCALE (Wolfgang Kabsch)
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing #1
_software.classification
SOLVE (2.13; 26-Jan-2007; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
MOLREP
Phasing #3
_software.classification
PHASER
Refinement
_software.classification
PHENIX (Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 41 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
143.02 143.02 211.23 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.072000.93300 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.980
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.900 2.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.077 0.132
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 14292
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 24531 1765
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 23.90 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 98.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.4 8.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3LN6
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-02-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.950 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2530 / 0.2860
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS, MR
Starting model
_refine.pdbx_starting_model
1V4G, 1UC8