Data quality metrics extracted from 6h15.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 6H15 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
2017-10-03
Detector
_diffrn_detector.type
DECTRIS PILATUS3 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.8731
Software
Data reduction
_software.classification
DIALS
Data scaling
_software.classification
Aimless (0.5.32)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.13rc1_2958)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
118.314 118.314 249.951 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.87310 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 249.950 249.950 2.670
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.600 11.630 2.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.219 0.106 1.004
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.232 0.112 1.100
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.074 0.035 0.433
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 556037 6940 24042
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 60113 717 3987
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 6.80 14.00 1.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.0 100.0 89.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.2 9.7 6.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.989 0.995 0.474

Refinement
PDB entry ID
_entry.id
6H15
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-07-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
94.8 - 2.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1983 / 0.2469
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4A0P