Data quality metrics extracted from 4pk2.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 4PK2 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
193
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-01-13
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1
Software
Refinement
_software.classification
PHENIX (phenix.refine: 1.8.1_1168)
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}
37.124 52.483 50.285 90.00 106.83 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
35.535
High resolution limit [Å]
_reflns.d_resolution_high
1.347
Rmerge
_reflns.pdbx_Rsym_value
0.070
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
40567
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
21.80
Completeness [%]
_reflns.percent_possible_obs
99.8
Multiplicity
_reflns.pdbx_redundancy
5.1
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4PK2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-05-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.5 - 1.350 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1310 / 0.1682