Data quality metrics extracted from 6kly.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 6KLY 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
NSRRC BEAMLINE BL13B1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSRRC
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL13B1
Temperature [K]
_diffrn.ambient_temp
110
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-07-07
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9056, 0.9193, 0.9190
Software
Data reduction
_software.classification
iMOSFLM (v7.2.2)
Data scaling
_software.classification
pointless (v1.11.21)
Phasing
_software.classification
PHENIX (1.14_3260: ???)
Refinement
_software.classification
PHENIX (1.14_3260: ???)
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}
73.05 73.05 114.06 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.976200.905600.919300.91900 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 28.350 2.060
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.010 2.010
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.082 0.525
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.094 0.605
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.043 0.290
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 19639 1275
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 11.10 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.7 85.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.1 3.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.712

Refinement
PDB entry ID
_entry.id
6KLY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-07-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
26.6 - 2.010 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1657 / 0.1949
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD