Data quality metrics extracted from 6rhd.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 6RHD 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
ESRF BEAMLINE ID23-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-12-11
Detector
_diffrn_detector.type
DECTRIS PILATUS3 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.8729
Software
Data reduction
_software.classification
XDS (Wolfgang Kabsch; Wolfgang.Kabsch@mpimf-heidelberg.mpg.de)
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing
_software.classification
PHASER (Randy J. Read; cimr-phaser@lists.cam.ac.uk)
Refinement
_software.classification
REFMAC (5.7.0029; Garib N. Murshudov; garib@ysbl.york.ac.uk)
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}
11.77 9.36 16.79 90.00 95.08 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.87290 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 16.720 16.720 1.250
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.200 4.160 1.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.200 0.104 0.855
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.204 0.106 0.900
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 31912 1180 1290
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 1178 35 139
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.66 43.55 2.49
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.2 97.2 97.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 27.1 33.7 9.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.842

Refinement
PDB entry ID
_entry.id
6RHD
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-04-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
16.7 - 1.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1059 / 0.1265
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given