Data quality metrics extracted from 5d98.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 5D98 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
DIAMOND BEAMLINE I03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I03
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-04-14
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0350
Software
Data reduction
_software.classification
xia2
Data scaling
_software.classification
Aimless
Phasing #1
_software.classification
PHENIX
Phasing #2
_software.classification
SHELX
Refinement
_software.classification
REFMAC (5.8.0103)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
185.66 185.66 598.22 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.976301.03500 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 100.570
High resolution limit [Å] 
_reflns.d_resolution_high
 3.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.201
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 95267
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 13.20
Completeness [%] 
_reflns.percent_possible_obs
 98.8
Multiplicity 
_reflns.pdbx_redundancy
 21.2
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5D98
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-08-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
50.0 - 3.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2858 / 0.3257
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS