Data quality metrics extracted from 4n4r.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 4N4R 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
DIAMOND BEAMLINE I24
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I24
Temperature [K]
_diffrn.ambient_temp
273
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2013-05-24
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97887, 0.97835, 0.98181, 0.97750
Software
Data collection
_software.classification
EDNA
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.6.0117)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
173.430 76.082 213.596 90.00 111.52 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978870.978350.981810.97750 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 107.490
High resolution limit [Å] 
_reflns.d_resolution_high
 2.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.154
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 64252
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 1.60
Completeness [%] 
_reflns.percent_possible_obs
 9.7
Multiplicity 
_reflns.pdbx_redundancy
 5.6
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4N4R
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-10-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
107.5 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2853 / 0.3051
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD