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

Data quality metrics extracted from 1o4w.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 1O4W 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	SSRL BEAMLINE BL11-1
Synchrotron site _diffrn_source.pdbx_synchrotron_site	SSRL
Beamline _diffrn_source.pdbx_synchrotron_beamline	BL11-1
Temperature [K] _diffrn.ambient_temp	100
Detector technology _diffrn_detector.detector	CCD
Collection date _diffrn_detector.pdbx_collection_date	2003-04-17
Detector _diffrn_detector.type	ADSC QUANTUM 315
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.98397, 0.97922, 0.91837, 0.97855
Software
Data reduction _software.classification	MOSFLM
Data scaling #1 _software.classification	SCALA (4.2))
Data scaling #2 _software.classification	CCP4 (SCALA)
Phasing #1 _software.classification	SOLVE
Phasing #2 _software.classification	RESOLVE
Model building _software.classification	RESOLVE
Refinement _software.classification	REFMAC (5.1.9999)
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}	63.705 63.705 78.040 90.0 90.0 120.0
Wavelength _diffrn_radiation_wavelength.wavelength	0.98397 0.97922 0.91837 0.97855 Å

Data quality metrics	Overall	OuterShell
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low	31.860	1.950
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high	1.900	1.900
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value	0.050	0.638
Rmeas	-	-
Rpim	-	-
Total number of observations	-	-
Total number unique _reflns.number_obs _reflns_shell.number_unique_all	14860	1058
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs	25.30	2.30
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all	99.9	99.9
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy	8.8	4.9
CC(1/2)	-	-

Refinement
PDB entry ID _entry.id	1O4W
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2003-07-16
Resolution _refine.ls_d_res_low _refine.ls_d_res_high	31.9 - 1.900 Å
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free	0.1884 / 0.2351
Structure solution method _refine.pdbx_method_to_determine_struct	MAD