Data quality metrics extracted from 6fm5.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 6FM5 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
ESRF BEAMLINE ID23-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-05-16
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA (0.5.9)
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.8.2_1309)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
49.214 92.018 34.111 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.872600.97900 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.210 49.210 1.520
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.470 5.690 1.470
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.061 0.031 0.741
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.070 0.036 0.852
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.033 0.017 0.412
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 116430 2187 10608
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 27069 546 2591
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 12.10 33.90 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.2 99.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.3 4.0 4.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.998 0.633

Refinement
PDB entry ID
_entry.id
6FM5
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-01-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.0 - 1.470 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1967 / 0.2191
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD