Data quality metrics extracted from 4ndk.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 4NDK 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
SSRL BEAMLINE BL12-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL12-2
Temperature [K]
_diffrn.ambient_temp
150.0
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2009-12-18
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.033200
Software
Data collection
_software.classification
BlueIce
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
PHENIX
Model building
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (phenix.refine: 1.8.2_1309)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
75.89 192.65 107.61 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.03320 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
34.000
High resolution limit [Å]
_reflns.d_resolution_high
2.300
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
35208
  <I/σ(I)> -
  Completeness [%] -
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4NDK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-10-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
34.0 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1901 / 0.2473
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