Data quality metrics extracted from 3hwn.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 3HWN 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
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2007-11-15
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0005
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
57.07 62.80 67.97 105.34 94.04 115.26
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.00050 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 35.810 2.390
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.330 2.330
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.098 0.209
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 31593 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 91.7 81.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.0 2.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3HWN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-06-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.8 - 2.330 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2499 / 0.3472
Structure solution method
_refine.pdbx_method_to_determine_struct
OTHER