Data quality metrics extracted from 6abr.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 6ABR 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
NSRRC BEAMLINE BL13B1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSRRC
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL13B1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-12-29
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.000,0.9788,0.9636
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.9_1692)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
32.573 82.775 34.278 90.00 107.37 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.978800.96360 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.100
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.000
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.052 0.142
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 11332 943
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 19.40 -
Completeness [%] 
_reflns.percent_possible_obs
 96.8 -
Multiplicity 
_reflns.pdbx_redundancy
 3.8 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
6ABR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-07-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
32.7 - 2.002 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2264 / 0.2618
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD