Data quality metrics extracted from 6hzl.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 6HZL 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 ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-02-04
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.13937
Software
Data reduction
_software.classification
XDS (VERSION Nov 1, 2016)
Data scaling
_software.classification
Aimless (0.5.28)
Phasing
_software.classification
HKL2Map
Refinement
_software.classification
REFMAC
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
141.432 141.432 206.563 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.13937 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.330 49.330 2.920
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.770 8.760 2.770
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.226 0.094 2.465
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.228 0.094 2.517
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.030 0.013 0.502
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 1062487 38830 68326
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 20468 706 2938
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 17.40 53.90 1.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.5 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 51.9 55.0 23.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.706

Refinement
PDB entry ID
_entry.id
6HZL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-10-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 2.770 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2352 / 0.2589
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD