Data quality metrics extracted from 6lvk.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 6LVK 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-E SUPERBRIGHT
Temperature [K]
_diffrn.ambient_temp
95
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2010-08-30
Detector
_diffrn_detector.type
RIGAKU RAXIS VII
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0253)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 2 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
64.272 105.571 116.260 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.060 48.060 2.370
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.290 8.870 2.290
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.078 0.025 0.442
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.091 0.030 0.519
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.047 0.017 0.269
Total number of observations 
_reflns_shell.number_measured_all
 - 2008 12513
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 36222 649 3485
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 9.70 24.30 2.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 92.0 99.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.6 3.1 3.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.998 0.822

Refinement
PDB entry ID
_entry.id
6LVK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-02-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.1 - 2.290 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2035 / 0.2470
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3B2T