Data quality metrics extracted from 5pa7.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 5PA7 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SLS BEAMLINE X10SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X10SA
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2011-06-25
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.000000
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (dev_764; Paul D. Adams; PDAdams@lbl.gov)
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}
57.185 60.105 147.614 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.610 2.220
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.120 2.120
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.124 0.834
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.151 0.032
  Rpim - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 194595 2234
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 29641 401
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.36 1.23
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 99.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.6 6.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.999

Refinement
PDB entry ID
_entry.id
5PA7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-10-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.2 - 2.120 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1927 / 0.2460
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
inhouse model