Data quality metrics extracted from 2hi1.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 2HI1 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 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-02-22
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97918, 0.97932
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
SHELX
Phasing #2
_software.classification
autoSHARP
Model building #1
_software.classification
ARP/wARP
Model building #2
_software.classification
Coot
Refinement
_software.classification
REFMAC (5.2.0019)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
77.660 92.892 101.328 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979180.97932 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 39.900 2.380
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 2.300
Rmerge 
_reflns_shell.pdbx_Rsym_value
 - 0.411
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 28553 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 1.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 90.6 64.1
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 2.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2HI1
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-06-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.9 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1870 / 0.2661
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD