Data quality metrics extracted from 1pv5.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 1PV5 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
APS BEAMLINE 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-06-06
Detector
_diffrn_detector.type
SBC-2
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97926, 0.97945, 0.94644
Software
Data collection
_software.classification
SBC-Collect
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
CNS
Phasing #2
_software.classification
SOLVE
Model building
_software.classification
ARP/wARP (V. 6.0)
Refinement
_software.classification
CNS (1.1)
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}
38.801 88.293 40.103 90.00 103.08 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979260.979450.94644 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.800 1.810
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.750 1.750
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.094 0.262
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 24853 1664
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 9.60 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.7 63.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.2 5.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1PV5
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-06-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.8 - 1.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1980 / 0.2350
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD