Data quality metrics extracted from 3q3l.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 3Q3L 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
LANSCE BEAMLINE PCS
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
LANSCE
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PCS
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2010-07
Detector
_diffrn_detector.type
LADI-III
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1 - 2.5
Software
Data collection
_software.classification
LAUEGEN
Data reduction
_software.classification
LAUEGEN
Data scaling
_software.classification
LAUESCALE
Refinement
_software.classification
PHENIX (1.7.3_928; Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
106.100 95.510 113.726 90.00 98.08 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000002.50000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.530 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
 0.146 0.177
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 28587 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 5.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 73.7 58.7
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 3.4
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3Q3L
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-12-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.4 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2210 / 0.2680
Structure solution method
_refine.pdbx_method_to_determine_struct
REFINEMENT AGAINST FIXED MODEL
Starting model
_refine.pdbx_starting_model
3I98