Data quality metrics extracted from 4hhx.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 4HHX at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SSRL BEAMLINE BL9-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-04-01
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96109, 0.97905
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
SQUASH
Refinement
_software.classification
REFMAC (5.5.0109)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
34.79 73.61 95.90 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.961090.97905 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.530 1.930
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.880 2.420 1.880
  Rmerge - - -
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs
 10378 - -
  <I/σ(I)> - - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.5 99.8 96.2
  Multiplicity - - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4HHX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-10-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.6 - 1.880 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2183 / 0.2474
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD