Data quality metrics extracted from 7w1d.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 7W1D 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
SPRING-8 BEAMLINE BL44XU
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL44XU
Temperature [K]
_diffrn.ambient_temp
100.000
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-07-15
Detector
_diffrn_detector.type
BRUKER SMART 6500
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0, 1.05372, 1.07194
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (Phenix1.17.1-3660)
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}
363.945 239.626 121.632 90.00 100.13 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.053721.07194 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 2.880
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.780 2.780
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.139 0.625
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 257393 25697
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.24 2.47
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 3.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
7W1D
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-11-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.9 - 2.780 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1820 / 0.2190
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD