Data quality metrics extracted from 6yc4.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 6YC4 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
PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
PETRA III, EMBL c/o DESY
Beamline
_diffrn_source.pdbx_synchrotron_beamline
P14 (MX2)
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-10-14
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.976
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.8.0257)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
135.189 239.861 138.456 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97600 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.810 48.810 2.650
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.590 12.440 2.590
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.237 0.082 2.131
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.252 0.089 2.270
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.086 0.034 0.771
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 590846 4417 36699
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 69594 673 4259
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 6.70 16.60 1.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 95.5 94.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.5 6.6 8.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.994 0.987 0.507

Refinement
PDB entry ID
_entry.id
6YC4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-03-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1847 / 0.2123
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6xyt