Data quality metrics extracted from 5moo.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 5MOO at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
FRM II BEAMLINE BIODIFF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
FRM II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BIODIFF
Temperature [K]
_diffrn.ambient_temp
295
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2016-07-22
Detector
_diffrn_detector.type
MAATEL BIODIFF
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.667
Software
Data reduction #1
_software.classification
XDS
Data reduction #2
_software.classification
HKL-2000
Data scaling #1
_software.classification
XDS
Data scaling #2
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Model building
_software.classification
Coot
Refinement
_software.classification
PHENIX (dev_2429)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
54.875 58.472 67.458 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541792.66700 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.184 1.530 1.450
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.441 1.441 1.430
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.045 0.229 0.387
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs
 38793 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 27.01 9.86 1.86
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.3 84.6 82.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.4 6.0 1.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
5MOO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-12-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
22.1 - 1.430 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1700 / 0.1848
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4I8H