Data quality metrics extracted from 1u8v.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 1U8V 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
SLS BEAMLINE X06SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-08-15
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.90004,1.73652,1.74314
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing #1
_software.classification
SnB
Phasing #2
_software.classification
SHARP
Refinement #1
_software.classification
CNS
Refinement #2
_software.classification
SHELX
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
102.3 130.2 175.5 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.900041.736521.74314 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 58.000 1.700
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 1.600
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.045 0.164
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 563317 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.50 4.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.4 96.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.1 2.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1U8V
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-08-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
58.0 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1630 / 0.2120
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD