Data quality metrics extracted from 6l4n.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 6L4N 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU FR-X
Temperature [K]
_diffrn.ambient_temp
80
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2019-05-21
Detector
_diffrn_detector.type
RIGAKU RAXIS IV++
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5478
Software
Data reduction
_software.classification
iMOSFLM
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (1.15.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
47.96 47.96 85.87 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54780 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 41.872 41.870 2.520
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.430 9.090 2.430
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.049 0.027 0.227
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.062 0.034 0.288
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.037 0.020 0.174
Total number of observations 
_reflns_shell.number_measured_all
 - 385 1747
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 7283 144 755
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 11.10 21.50 3.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.4 85.6 94.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.5 2.7 2.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.995 0.997 0.846

Refinement
PDB entry ID
_entry.id
6L4N
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.9 - 2.431 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1963 / 0.2530
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2O9A