Data quality metrics extracted from 1nui.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 1NUI 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
CHESS BEAMLINE F1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
CHESS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
F1
Temperature [K]
_diffrn.ambient_temp
110
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-07-05
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9474, 0.9797, 0.9795, 0.9300, 1.5418
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MLPHARE
Refinement
_software.classification
REFMAC (5.1.19)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
136.459 136.460 85.445 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.947400.979700.979500.930001.54180 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 65.000 2.690
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.600 2.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.065 0.241
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 28599 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.70 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.6 93.6
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1NUI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-01-31
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 2.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2345 / 0.2767
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD