Data quality metrics extracted from 4oe9.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 4OE9 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-08-18
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979614, 0.976226
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
MOSFLM (Andrew G.W. Leslie; andrew@mrc-lmb.cam.ac.uk)
Data scaling
_software.classification
Aimless (0.1.27; 11/07/12; Phil Evans)
Phasing
_software.classification
SOLVE (Tom Terwilliger; terwilliger@LANL.gov)
Refinement
_software.classification
PHENIX (1.8.4_1496; Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
28.49 35.58 54.30 104.03 93.30 91.11
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979610.97623 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 32.740 1.580
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.550 1.550
Rmerge 
_reflns_shell.Rmerge_I_obs
 - 0.186
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 27029 3972
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 7.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 90.2 51.5
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4OE9
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-01-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
26.3 - 1.550 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1339 / 0.1651
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD