Data quality metrics extracted from 6gnl.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 6GNL 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
SLS BEAMLINE X06DA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06DA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-05-18
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.210
Software
Data reduction
_software.classification
HKL-2000 (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
Aimless (0.5.32; 29/03/17; Phil Evans)
Phasing
_software.classification
PHASER (2.8.0; Fri Jul 7 22:41:19 2017 (svn 8200) (git 7250, 5e21953... ); Randy J. Read; cimr-phaser@lists.cam.ac.uk)
Refinement
_software.classification
PHENIX (Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
77.701 77.701 37.866 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.21000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 38.850 38.850 1.250
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.230 6.620 1.230
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.039 0.030 0.551
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.042 0.032 0.595
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.015 0.012 0.222
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 240940 1604 12200
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 34264 277 1725
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 32.40 104.50 3.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.0 5.8 7.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.999 0.893

Refinement
PDB entry ID
_entry.id
6GNL
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-05-31
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.9 - 1.230 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1475 / 0.1713
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
pdbid 1LYZ