Data quality metrics extracted from 6q10.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 6Q10 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU FR-E+ SUPERBRIGHT
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-F
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2019-04-18
Detector
_diffrn_detector.type
RIGAKU SATURN 944+
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing #1
_software.classification
PHASER
Phasing #2
_software.classification
PARROT
Model building
_software.classification
ARP/wARP
Refinement
_software.classification
PHENIX (dev_3500)
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}
42.31 46.57 69.57 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978721.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 38.700 38.700 1.640
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 7.160 1.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.029 0.022 0.348
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.031 0.024 0.395
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 124550 1281 5417
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 18638 251 1247
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 31.67 59.93 3.45
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.1 95.4 91.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.7 5.1 4.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.999 0.901

Refinement
PDB entry ID
_entry.id
6Q10
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-08-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.7 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1700 / 0.2033
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD