Data quality metrics extracted from 6l3o.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 6L3O 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
PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
PAL/PLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
7A (6B, 6C1)
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2019-04-05
Detector
_diffrn_detector.type
ADSC QUANTUM 270
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97934
Software
Data reduction
_software.classification
HKL-2000 (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
HKL-2000 (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing
_software.classification
MOLREP (Alexei Vaguine; alexei@ysbl.york.ac.uk)
Refinement
_software.classification
REFMAC (5.8.0238)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
87.745 87.745 198.223 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97934 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 1.680
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.650 4.480 1.650
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.052 0.044 0.287
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.058 0.050 0.330
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.027 0.024 0.161
Total number of observations 
_reflns.pdbx_number_measured_all
 297935 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 68160 3359 3397
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 12.10 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 98.0 98.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.4 4.4 3.8
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.995 0.946

Refinement
PDB entry ID
_entry.id
6L3O
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.2 - 1.650 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1748 / 0.2056
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2J5I