Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Data quality metrics extracted from 1g16.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 1G16 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 5.0.1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	ALS
Beamline _diffrn_source.pdbx_synchrotron_beamline	5.0.1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2000-01-22
Detector _diffrn_detector.type	ADSC QUANTUM 4
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	1.1000,0.9795
Software
Data reduction _software.classification	DENZO
Data scaling _software.classification	SCALEPACK
Phasing _software.classification	CNS
Refinement _software.classification	CNS
General information
Spacegroup name _symmetry.space_group_name_H-M	P 1
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	56.007 56.379 59.374 95.25 101.68 116.20
Wavelength _diffrn_radiation_wavelength.wavelength	0.97970 0.97940 0.97960 0.97820 1.10000 0.97950 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	28.900	1.900
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.800	1.800
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.058	0.258
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	104861	11775
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	20.00	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	89.6	60.8
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	3.9	3.6
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	1G16
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2000-10-10
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	28.9 - 1.800 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2760 / 0.2960