Data quality metrics extracted from 1zkg.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 1ZKG 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
2005-04-03
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.918370, 0.979508
Software
Data reduction
_software.classification
MOSFLM
Data scaling #1
_software.classification
SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
Data scaling #2
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
SOLVE
Refinement
_software.classification
REFMAC (5.2.0005; Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
50.518 87.109 59.156 90.00 110.73 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.918370.97951 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.180 29.180 2.360
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 10.290 2.300
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.093 0.050 0.612
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 246 1507
Total number unique 
_reflns.number_obs
 21323 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.00 12.20 1.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.5 96.1 95.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.0 5.7 3.7
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
1ZKG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-05-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.2 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2010 / 0.2640
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD