Data quality metrics extracted from 2i1u.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 2I1U 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
ESRF BEAMLINE ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
173
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-10-15
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.968
Software
Data collection
_software.classification
CrystalClear (MSC/RIGAKU)
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.2.0019)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
26.478 29.225 30.954 88.37 88.15 66.67
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541800.96800 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 1.370
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.300 1.300
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 19858 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.7 92.3
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2I1U
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-08-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
18.9 - 1.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2117 / 0.2403
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB ENTRY 2trx