Data quality metrics extracted from 3ci4.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 3CI4 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU RU200
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-05-25
Detector
_diffrn_detector.type
Bruker Platinum 135
Software
Data collection
_software.classification
PROTEUM PLUS (PLUS)
Data reduction
_software.classification
PROTEUM PLUS (PLUS)
Data scaling
_software.classification
PROTEUM PLUS (PLUS)
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.2.0005; Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
67.826 67.826 111.260 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 30.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.109
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 13603
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.70
Completeness [%] 
_reflns.percent_possible_obs
 98.2
Multiplicity 
_reflns.pdbx_redundancy
 2.5
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3CI4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-03-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1700 / 0.2093