Data quality metrics extracted from 2pb7.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 2PB7 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
ESRF BEAMLINE ID23-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-03-01
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.8730, 0.9791, 0.9795, 0.9757
Software
Data collection
_software.classification
MxCuBE
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
53.929 53.929 161.995 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.873000.979100.979500.97570 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
 1.900 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.080 0.350
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 22424 3220
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.00 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.0 95.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.6 7.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2PB7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2007-03-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2050 / 0.2270
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD
Starting model
_refine.pdbx_starting_model
MAD model