Data quality metrics extracted from 1xu7.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 1XU7 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
ALS BEAMLINE 5.0.3
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.3
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-06-01
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.3404, 1.3408, 1.3412, 1.2782
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
CCP4 (TRUNCATE)
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.1.19)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
56.430 159.625 73.544 90.00 93.07 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.340401.340801.341201.27820 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.860
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.800 1.800
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.046 0.300
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 114558 9105
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 26.20 3.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.3 76.2
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 1.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1XU7
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-10-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1970 / 0.2172
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD