Data quality metrics extracted from 1pzw.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 1PZW 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
MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
MPG/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW6
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-02-10
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0500, 1.2828
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MLPHARE
Refinement #1
_software.classification
REFMAC (5.1)
Refinement #2
_software.classification
CNS (1.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
48.660 48.660 82.123 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.050001.28280 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.000
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.950 1.950
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.042 0.447
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 6907 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 36.70 6.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.0 99.7
Multiplicity 
_reflns.pdbx_redundancy
 4.6 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1PZW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-07-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
15.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2408 / 0.2669
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD