Data quality metrics extracted from 6otl.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 6OTL 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
ALS BEAMLINE 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CMOS
Collection date
_diffrn_detector.pdbx_collection_date
2013-09-13
Detector
_diffrn_detector.type
RDI CMOS_8M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.254
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA
Phasing
_software.classification
PHENIX
Refinement
_software.classification
REFMAC (5.8.0238)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
87.76 87.76 59.63 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.25400 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 25.000 2.684
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.590 2.591
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.288
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.095 0.408
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.067 0.288
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 8456 798
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 27.32 3.23
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 96.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.0 2.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.983 0.828

Refinement
PDB entry ID
_entry.id
6OTL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-05-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
25.0 - 2.590 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1935 / 0.2091
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD