Data quality metrics extracted from 1p9p.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 1P9P 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 17-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID
Temperature [K]
_diffrn.ambient_temp
150
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-09-15
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97920, 0.97031, 0.95373
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNX
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}
97.255 97.255 62.661 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.979200.970310.95373 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.590
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.500 2.500
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.096 0.373
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 12013 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 3.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.9 1.0
Multiplicity 
_reflns.pdbx_redundancy
 8.6 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1P9P
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-05-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
50.0 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1960 / 0.2470
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD