Data quality metrics extracted from 3l81.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 3L81 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
APS BEAMLINE 22-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
22-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-03-20
Detector
_diffrn_detector.type
MARMOSAIC 300 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0000
Software
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing #1
_software.classification
SOLVE (2.13; 24-Feb-2008; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.13; 1-Jun-2008; Thomas C. Terwilliger; terwilliger@lanl.gov)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
46.672 56.910 60.664 90.00 106.53 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979400.979600.971901.00000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 50.000
High resolution limit [Å] 
_reflns.d_resolution_high
 1.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.097
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 39268
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 13.80
Completeness [%] 
_reflns.percent_possible_obs
 97.3
Multiplicity 
_reflns.pdbx_redundancy
 4.4
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3L81
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-12-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.7 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2070 / 0.2520
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD