Data quality metrics extracted from 3rzt.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 3RZT at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
ILL BEAMLINE LADI III
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ILL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
LADI III
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2007-06-08
Detector
_diffrn_detector.type
MAATEL QLD: LADI-III
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
3.2 - 4.2
Software
Data collection
_software.classification
LAUEGEN
Data reduction
_software.classification
LAUEGEN
Data scaling
_software.classification
SCALA
Refinement
_software.classification
PHENIX (phenix.refine: 2010_05_02_2130)
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}
33.92 34.87 43.50 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
3.200004.20000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 27.210 1.840
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.750 1.750
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.153 0.189
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 4187 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 8.40 3.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 77.5 56.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.6 2.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3RZT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-05-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
27.2 - 1.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2022 / 0.2490
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS
Starting model
_refine.pdbx_starting_model
PDB ENTRY 3KYW