Data quality metrics extracted from 4ps7.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 4PS7 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
ALS BEAMLINE 5.0.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.1
Temperature [K]
_diffrn.ambient_temp
98
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-06-12
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
d*TREK
Data scaling
_software.classification
d*TREK
Phasing
_software.classification
AMoRE
Refinement
_software.classification
REFMAC (5.8.0049)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
143.965 67.710 106.698 90.00 95.99 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
106.120
High resolution limit [Å]
_reflns.d_resolution_high
2.690
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.057
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
25348
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
94.1
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4PS7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-03-06
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
106.1 - 2.690 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2107 / 0.2737
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given