Data quality metrics extracted from 3htx.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 3HTX 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
APS BEAMLINE 23-ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-06-06
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97950, 0.97967, 0.94950
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
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}
96.995 124.347 101.376 90.00 93.47 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979300.979500.979670.94950 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 20.000
High resolution limit [Å] 
_reflns.d_resolution_high
 3.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.097
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 40959
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 8.70
Completeness [%] 
_reflns.percent_possible_obs
 92.8
Multiplicity 
_reflns.pdbx_redundancy
 3.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3HTX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-06-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 3.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2600 / 0.2880
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD