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

Data quality metrics extracted from 5m48.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 5M48 at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	MAD
Source type _diffrn_source.source	SYNCHROTRON
Source details _diffrn_source.type	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SOLEIL
Beamline _diffrn_source.pdbx_synchrotron_beamline	PROXIMA 1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	PIXEL
Collection date _diffrn_detector.pdbx_collection_date	2015-10-14
Detector _diffrn_detector.type	DECTRIS PILATUS 6M
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.979, 0.9792, 0.9919, 0.9713
Software
Data reduction _software.classification	XDS
Data scaling _software.classification	Aimless
Phasing _software.classification	PHENIX (1.9-1692)
Refinement _software.classification	PHENIX (1.9_1692)
General information
Spacegroup name _symmetry.space_group_name_H-M	F 41 3 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	217.141 217.141 217.141 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.97900 0.97920 0.99190 0.97130 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	54.540	2.681
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	2.593	2.589
Rmerge	-	-
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs	14200	-
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI	21.90	-
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	100.0	99.9
Multiplicity _reflns.pdbx_redundancy	29.7	-
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	5M48
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2016-10-18
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	48.6 - 2.593 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.2455 / 0.2640