Data quality metrics extracted from 6nhl.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 6NHL at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 24-ID-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2014-12-10
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.7384, 0.972
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
HKL2Map
Phasing #2
_software.classification
AutoSol
Refinement
_software.classification
PHENIX (1.14_3260: ???)
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}
70.264 74.493 103.714 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.738400.97200 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.000 2.180
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.100
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.153 0.489
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 31076 2456
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.70 2.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.0 76.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.6 5.1
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.879

Refinement
PDB entry ID
_entry.id
6NHL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-12-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.8 - 2.101 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1726 / 0.2263
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD