Data quality metrics extracted from 1z8h.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 1Z8H 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 8.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-08-31
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9787, 1.0332,0.9784
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing #1
_software.classification
SHELXD
Phasing #2
_software.classification
autoSHARP
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
64.504 69.806 211.028 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978701.033200.97840 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.550 2.090
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.020 2.020
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.074 0.348
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 62663 5908
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 26.76 4.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.0 95.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.6 7.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1Z8H
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-04-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.5 - 2.020 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1547 / 0.1947
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD