Data quality metrics extracted from 1xkh.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 1XKH 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
ESRF BEAMLINE BM30A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM30A
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-10-03
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979413, 0.979632, 0.977801
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
AMoRE
Refinement
_software.classification
CNS
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}
137.451 231.342 121.695 90.00 104.57 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979410.979630.97780 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 20.000
High resolution limit [Å] 
_reflns.d_resolution_high
 3.600
Rmerge 
_reflns.pdbx_Rsym_value
 0.129
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 41896
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 8.46
Completeness [%] 
_reflns.percent_possible_obs
 98.4
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1XKH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-09-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 3.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2590 / 0.2880
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
Ferrichrome outer membrane receptor FhuA from Escherichia coli.