Data quality metrics extracted from 3l42.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 3L42 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU FR-E
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-08-05
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling #1
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling #2
_software.classification
HKL-2000
Phasing
_software.classification
SHELX (George Sheldrick; gsheldr@shelx.uni-ac.gwdg.de)
Refinement
_software.classification
REFMAC (5.5.0102; Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
44.352 44.352 122.722 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.977111.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.000 40.000 1.320
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.300 3.530 1.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.056 0.039 0.465
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 31403 1760 1544
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 12.20 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 98.5 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 14.5 13.4 13.8
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3L42
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-12-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2090 / 0.2330
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD