Data quality metrics extracted from 1vl6.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 1VL6 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
ALS BEAMLINE 8.3.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.3.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-07-25
Detector
_diffrn_detector.type
ADSC
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.019943, 0.979762, 0.979619
Software
Data reduction #1
_software.classification
DENZO
Data reduction #2
_software.classification
MOSFLM
Data scaling
_software.classification
SCALEPACK
Phasing #1
_software.classification
SOLVE
Phasing #2
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.2.0003)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
143.963 143.963 163.428 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.115871.019940.979760.97962 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 47.120 2.690
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.600 2.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.054 0.551
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 57871 5591
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.77 1.84
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.8 96.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.3 2.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1VL6
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-07-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.1 - 2.610 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1919 / 0.2393
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD