Data quality metrics extracted from 2i5h.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 2I5H 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
NSLS BEAMLINE X12C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X12C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-05-12
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data collection
_software.classification
CBASS
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
SOLVE (& SHARP)
Phasing #2
_software.classification
SHARP
Refinement
_software.classification
CNS (1.1)
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}
76.73 37.49 85.25 90.0 95.6 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979101.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 31.800 1.800
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.740 1.740
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.032 0.319
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 23465 1397
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 23.50 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.5 56.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.7 3.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2I5H
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-08-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
31.8 - 1.740 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2279 / 0.2581
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD