Data quality metrics extracted from 1xdw.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 1XDW 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
MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
MPG/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BW6
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2002-09-01
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.2545, 1.2555, 1.0500
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
XDS
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.1.24)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
67.490 67.490 312.785 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.254501.255501.05000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.031
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.980 1.980
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.053 0.316
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 28589 1728
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 28.17 6.84
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.8 93.9
Multiplicity 
_reflns.pdbx_redundancy
 17.2 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1XDW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-09-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.5 - 1.980 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1773 / 0.2253
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD