Data quality metrics extracted from 2ark.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 2ARK 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 19-BM
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-BM
Temperature [K]
_diffrn.ambient_temp
105
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-05-06
Detector
_diffrn_detector.type
CUSTOM-MADE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97911, 0.97924
Software
Data collection
_software.classification
SBC-Collect
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
HKL-3000
Phasing #2
_software.classification
SHELX
Phasing #3
_software.classification
RESOLVE
Phasing #4
_software.classification
DM
Model building #1
_software.classification
Coot
Model building #2
_software.classification
O
Model building #3
_software.classification
ARP/wARP
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
112.846 112.846 150.648 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979110.97924 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 36.000 2.490
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.400 2.400
Rmerge 
_reflns_shell.pdbx_Rsym_value
 - 0.720
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 43827 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 98.8
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 4.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2ARK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-08-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.0 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1708 / 0.2352
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD