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

Data quality metrics extracted from 3c0c.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 3C0C 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	NSLS BEAMLINE X8C
Synchrotron site _diffrn_source.pdbx_synchrotron_site	NSLS
Beamline _diffrn_source.pdbx_synchrotron_beamline	X8C
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2004-04-15
Detector _diffrn_detector.type	ADSC QUANTUM 4
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.9000, 0.9795, 0.9798
Software
Data scaling _software.classification	d*TREK (8.0L; May 8 2003; Pflugrath, J.W.; jwp@RigakuMSC.com)
Refinement _software.classification	REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name _symmetry.space_group_name_H-M	P 43 21 2
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	64.97 64.97 41.27 90.0 90.0 90.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.90000 0.97950 0.97980 Å

Data quality metrics	Overall	InnerShell	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	34.890	34.890	1.460
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.410	3.040	1.410
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs	0.081	0.039	0.620
Rmeas	-	-	-
Rpim	-	-	-
Total number of observations _reflns_shell.number_measured_all	-	21718	280
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	13188	1681	226
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	11.00	32.40	0.70
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	75.2	88.3	13.3
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	9.0	12.8	1.2
CC(1/2)	-	-	-

Refinement
PDB entry ID _entry.id	3C0C
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2008-01-19
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	25.0 - 1.700 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1960 / 0.2170