Data quality metrics extracted from 1xqn.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 1XQN at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
QUASI LAUE
Temperature [K]
_diffrn.ambient_temp
15
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2000-11-16
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.8-3.8
Software
Data collection
_software.classification
LAUEGEN/LSCALE
Data reduction #1
_software.classification
SCALA
Data reduction #2
_software.classification
LAUEGEN/LSCALE
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
CNS (1.1)
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
89.160 86.129 61.594 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.800003.80000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 32.820 2.640
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.500 2.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.235 0.358
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 6339 651
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 5.60 2.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 74.4 54.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.7 2.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1XQN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-10-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
32.8 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2660 / 0.3200
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1.65A X-ray model of D20-grown saccharide-free concacanavalin A at 100K