Data quality metrics extracted from 3hoe.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 3HOE 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
CLSI BEAMLINE 08ID-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
CLSI
Beamline
_diffrn_source.pdbx_synchrotron_beamline
08ID-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-08-13
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98057, 0.98088, 0.97007
Software
Data collection
_software.classification
Macromolecular (Crystallography Data Collection (MXDC) GUI)
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SHARP
Refinement
_software.classification
PHENIX (phenix.refine)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
142.473 43.431 100.397 90.00 118.16 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.980570.980880.97007 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 35.310
High resolution limit [Å] 
_reflns.d_resolution_high
 2.303
Rmerge 
_reflns.pdbx_Rsym_value
 0.070
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 42372
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 29.60
Completeness [%] 
_reflns.percent_possible_obs
 95.0
Multiplicity 
_reflns.pdbx_redundancy
 5.9
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3HOE
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-06-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.3 - 2.303 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1944 / 0.2612
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD