Data quality metrics extracted from 3l6w.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 3L6W 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
SLS BEAMLINE X06SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06SA
Temperature [K]
_diffrn.ambient_temp
90
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-09-22
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Software
Data collection
_software.classification
MAR345
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing #1
_software.classification
PHASER
Phasing #2
_software.classification
RESOLVE
Phasing #3
_software.classification
DM
Model building #1
_software.classification
RESOLVE
Model building #2
_software.classification
DM
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 21 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
251.02 251.02 251.02 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97941 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
30.000
High resolution limit [Å]
_reflns.d_resolution_high
4.000
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.180
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
22294
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
10.60
Completeness [%]
_reflns.percent_possible_obs
96.8
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3L6W
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-12-27
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB ENTRY 1JS8